N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline

C148H195N35O11S — CID 161316916

About N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline

N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline (PubChem CID 161316916) has the molecular formula C148H195N35O11S and a molecular weight of 2672.49 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline.

Molecular Properties

• Compound Name: N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
• PubChem CID: 161316916
• Molecular Formula: C148H195N35O11S
• Molecular Weight: 2672.49 g/mol
• Exact Mass: 2670.55
• IUPAC Name: N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline
• SMILES: CCC(C)N(C)C(=O)c1cccc(NC)c1.CNC(=O)c1cc(C)cc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)N(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC(C)C)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1
• InChI: InChI=1S/C13H20N2O.2C12H16N2O.2C12H18N2O.2C10H12N4O.C10H11N3.2C10H14N2O.C10H10N2S.C9H10N4.2C9H12N2O/c1-5-10(2)15(4)13(16)11-7-6-8-12(9-11)14-3;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-9(2)8-14-12(15)10-5-4-6-11(7-10)13-3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;1-7-4-8(10(13)12-3)6-9(5-7)11-2;1-11-9-6-4-5-8(7-9)10(13)12(2)3;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2/h6-10,14H,5H2,1-4H3;2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;4-7,9,13H,8H2,1-3H3,(H,14,15);2*3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);4-6,11H,1-3H3,(H,12,13);4-7,11H,1-3H3;2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12)
• InChIKey: VJPQULMGYRIFRF-UHFFFAOYSA-N
• XLogP: 26.63
• TPSA: 584.50 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 37
• Rotatable Bonds: 38
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2672.49
LogP ≤ 5	26.63
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

The IUPAC name of N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline (CID 161316916) is N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline.

What is the SMILES notation for N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

The canonical SMILES for N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline is CCC(C)N(C)C(=O)c1cccc(NC)c1.CNC(=O)c1cc(C)cc(NC)c1.CNC(=O)c1cccc(NC)c1.CNC(=O)c1cccc(NC)c1.CNc1cccc(-c2ccn[nH]2)c1.CNc1cccc(-c2cscn2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(-c2noc(NC)n2)c1.CNc1cccc(C(=O)N(C)C(C)C)c1.CNc1cccc(C(=O)N(C)C)c1.CNc1cccc(C(=O)NC2CCC2)c1.CNc1cccc(C(=O)NCC(C)C)c1.CNc1cccc(C(=O)NCC2CC2)c1.CNc1cccc(C2N=CN=N2)c1.

What is the InChIKey of N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

The InChIKey is VJPQULMGYRIFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O.2C12H16N2O.2C12H18N2O.2C10H12N4O.C10H11N3.2C10H14N2O.C10H10N2S.C9H10N4.2C9H12N2O/c1-5-10(2)15(4)13(16)11-7-6-8-12(9-11)14-3;1-13-11-7-2-4-9(8-11)12(15)14-10-5-3-6-10;1-13-11-4-2-3-10(7-11)12(15)14-8-9-5-6-9;1-9(2)14(4)12(15)10-6-5-7-11(8-10)13-3;1-9(2)8-14-12(15)10-5-4-6-11(7-10)13-3;2*1-11-8-5-3-4-7(6-8)9-13-10(12-2)15-14-9;1-11-9-4-2-3-8(7-9)10-5-6-12-13-10;1-7-4-8(10(13)12-3)6-9(5-7)11-2;1-11-9-6-4-5-8(7-9)10(13)12(2)3;1-11-9-4-2-3-8(5-9)10-6-13-7-12-10;1-10-8-4-2-3-7(5-8)9-11-6-12-13-9;2*1-10-8-5-3-4-7(6-8)9(12)11-2/h6-10,14H,5H2,1-4H3;2,4,7-8,10,13H,3,5-6H2,1H3,(H,14,15);2-4,7,9,13H,5-6,8H2,1H3,(H,14,15);5-9,13H,1-4H3;4-7,9,13H,8H2,1-3H3,(H,14,15);2*3-6,11H,1-2H3,(H,12,13,14);2-7,11H,1H3,(H,12,13);4-6,11H,1-3H3,(H,12,13);4-7,11H,1-3H3;2-7,11H,1H3;2-6,9-10H,1H3;2*3-6,10H,1-2H3,(H,11,12).

What are the key properties of N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline?

N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline has a molecular weight of 2672.49 g/mol, XLogP of 26.63, 38 rotatable bonds, 23 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-methyl-3-(methylamino)benzamide;N-cyclobutyl-3-(methylamino)benzamide;N-(cyclopropylmethyl)-3-(methylamino)benzamide;N,N-dimethyl-3-(methylamino)benzamide;N,3-dimethyl-5-(methylamino)benzamide;3-(methylamino)-N-(2-methylpropyl)benzamide;bis(N-methyl-3-(methylamino)benzamide);bis(N-methyl-3-[3-(methylamino)phenyl]-1,2,4-oxadiazol-5-amine);N-methyl-3-(methylamino)-N-propan-2-ylbenzamide;N-methyl-3-(1H-pyrazol-5-yl)aniline;N-methyl-3-(1,3-thiazol-4-yl)aniline;N-methyl-3-(3H-1,2,4-triazol-3-yl)aniline is sourced from PubChem (CID 161316916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).