N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

C16H23N3O2 — CID 120827773

IUPACN-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCNC(C)CNC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C16H23N3O2/c1-10-7-14(10)16(21)19-13-6-4-5-12(8-13)15(20)18-9-11(2)17-3/h4-6,8,10-11,14,17H,7,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNEZBYISFGSSNBX-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide

N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (PubChem CID 120827773) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
PubChem CID120827773
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
SMILESCNC(C)CNC(=O)c1cccc(NC(=O)C2CC2C)c1
InChIInChI=1S/C16H23N3O2/c1-10-7-14(10)16(21)19-13-6-4-5-12(8-13)15(20)18-9-11(2)17-3/h4-6,8,10-11,14,17H,7,9H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyNEZBYISFGSSNBX-UHFFFAOYSA-N
XLogP1.62
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 98727874
N-[3-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 119432738
3-[(2-methylcyclopropanecarbonyl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 51318010
N-(4-hydroxy-2,2-dimethylpentyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 111480659
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide;hydrochloride
CID 120948616
3-[(2-methylcyclopropanecarbonyl)amino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513177
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651288
ethyl (2S)-2-[[3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoyl]amino]propanoate
CID 129418999
N-(2-amino-1-cyclopropylethyl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119616196
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057
3-(cyclopropanecarbonylamino)-N-(2-methylpropyl)benzamide
CID 40603945

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The IUPAC name of N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide (CID 120827773) is N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide.
What is the SMILES notation for N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The canonical SMILES for N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is CNC(C)CNC(=O)c1cccc(NC(=O)C2CC2C)c1.
What is the InChIKey of N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
The InChIKey is NEZBYISFGSSNBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10-7-14(10)16(21)19-13-6-4-5-12(8-13)15(20)18-9-11(2)17-3/h4-6,8,10-11,14,17H,7,9H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide?
N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide has a molecular weight of 289.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)propyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide is sourced from PubChem (CID 120827773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).