N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide

C23H30N2O2 — CID 134213133

IUPACN-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide
SMILESCNC(=O)c1ccc(C(C)CCN(C)C(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-16(2)18-6-12-21(13-7-18)23(27)25(5)15-14-17(3)19-8-10-20(11-9-19)22(26)24-4/h6-13,16-17H,14-15H2,1-5H3,(H,24,26)
InChIKeyOWCFAVCJEVMDAP-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.44
Rot. Bonds7

About N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide

N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide (PubChem CID 134213133) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide
PubChem CID134213133
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide
SMILESCNC(=O)c1ccc(C(C)CCN(C)C(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C23H30N2O2/c1-16(2)18-6-12-21(13-7-18)23(27)25(5)15-14-17(3)19-8-10-20(11-9-19)22(26)24-4/h6-13,16-17H,14-15H2,1-5H3,(H,24,26)
InChIKeyOWCFAVCJEVMDAP-UHFFFAOYSA-N
XLogP4.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-3-oxopropyl)-N-methyl-4-propan-2-ylbenzamide
CID 166591542
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-propan-2-ylbenzamide
CID 9475393
1-N-methyl-4-N,4-N-di(propan-2-yl)benzene-1,4-dicarboxamide
CID 793999
4-[(1R)-1-(dimethylamino)-2-methylpropyl]-N-methylbenzamide
CID 118928753
4-benzamido-N-methyl-N-(3-methylbutyl)benzamide
CID 86926879
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
4-[4-[(1S)-1-hydroxyethyl]phenyl]-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 126445261
N-methyl-N-(3-methylbutyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 86926868
N-methyl-4-(1-methylsulfanylethyl)benzamide
CID 59428965
N-methyl-N-[3-(methylamino)propyl]-3-propan-2-ylbenzamide
CID 166591494
2-methyl-4-[(4-propan-2-ylbenzoyl)amino]butanoic acid
CID 80539325
N-(3-amino-2,2-dimethylpropyl)-4-propan-2-ylbenzamide
CID 115365755

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide (CID 134213133) is N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide is CNC(=O)c1ccc(C(C)CCN(C)C(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide?
The InChIKey is OWCFAVCJEVMDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-16(2)18-6-12-21(13-7-18)23(27)25(5)15-14-17(3)19-8-10-20(11-9-19)22(26)24-4/h6-13,16-17H,14-15H2,1-5H3,(H,24,26).
What are the key properties of N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide?
N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide has a molecular weight of 366.51 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[4-(methylcarbamoyl)phenyl]butyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 134213133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).