4-(methylamino)-N-(3-phenylbutyl)benzamide

C18H22N2O — CID 62987359

IUPAC4-(methylamino)-N-(3-phenylbutyl)benzamide
SMILESCNc1ccc(C(=O)NCCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(15-6-4-3-5-7-15)12-13-20-18(21)16-8-10-17(19-2)11-9-16/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyBRHAPPKDPNDOFL-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.65
Rot. Bonds6

About 4-(methylamino)-N-(3-phenylbutyl)benzamide

4-(methylamino)-N-(3-phenylbutyl)benzamide (PubChem CID 62987359) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(methylamino)-N-(3-phenylbutyl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(3-phenylbutyl)benzamide
PubChem CID62987359
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(methylamino)-N-(3-phenylbutyl)benzamide
SMILESCNc1ccc(C(=O)NCCC(C)c2ccccc2)cc1
InChIInChI=1S/C18H22N2O/c1-14(15-6-4-3-5-7-15)12-13-20-18(21)16-8-10-17(19-2)11-9-16/h3-11,14,19H,12-13H2,1-2H3,(H,20,21)
InChIKeyBRHAPPKDPNDOFL-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-phenylbutyl)benzamide
CID 62403316
4-(methylamino)-N-(3-phenylbutyl)pyridine-2-carboxamide
CID 62986653
1-N,4-N-bis(3,3-diphenylpropyl)benzene-1,4-dicarboxamide
CID 5181795
4-bromo-3-fluoro-N-(3-phenylbutyl)benzamide
CID 63525833
N-(3-phenylbutyl)-2-sulfanylbenzamide
CID 107028920
3-[[4-(methylamino)benzoyl]amino]propanoic acid
CID 119092205
N-[2-(carbamoylamino)ethyl]-4-(methylamino)benzamide
CID 83114529
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769
2-(methylamino)-N-(3-phenylbutyl)pyridine-3-carboxamide
CID 62986832
4-(methylamino)-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 55046818
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3S)-3-phenylbutyl]benzamide
CID 95869297

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(3-phenylbutyl)benzamide?
The IUPAC name of 4-(methylamino)-N-(3-phenylbutyl)benzamide (CID 62987359) is 4-(methylamino)-N-(3-phenylbutyl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(3-phenylbutyl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(3-phenylbutyl)benzamide is CNc1ccc(C(=O)NCCC(C)c2ccccc2)cc1.
What is the InChIKey of 4-(methylamino)-N-(3-phenylbutyl)benzamide?
The InChIKey is BRHAPPKDPNDOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14(15-6-4-3-5-7-15)12-13-20-18(21)16-8-10-17(19-2)11-9-16/h3-11,14,19H,12-13H2,1-2H3,(H,20,21).
What are the key properties of 4-(methylamino)-N-(3-phenylbutyl)benzamide?
4-(methylamino)-N-(3-phenylbutyl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(3-phenylbutyl)benzamide is sourced from PubChem (CID 62987359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).