N-benzyl-2-(heptanoylamino)benzamide

C21H26N2O2 — CID 54789241

IUPACN-benzyl-2-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-3-4-8-15-20(24)23-19-14-10-9-13-18(19)21(25)22-16-17-11-6-5-7-12-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyRHEXMIJKOYOMGY-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.53
Rot. Bonds9

About N-benzyl-2-(heptanoylamino)benzamide

N-benzyl-2-(heptanoylamino)benzamide (PubChem CID 54789241) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-benzyl-2-(heptanoylamino)benzamide.

Molecular Properties

Compound NameN-benzyl-2-(heptanoylamino)benzamide
PubChem CID54789241
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-benzyl-2-(heptanoylamino)benzamide
SMILESCCCCCCC(=O)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C21H26N2O2/c1-2-3-4-8-15-20(24)23-19-14-10-9-13-18(19)21(25)22-16-17-11-6-5-7-12-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,22,25)(H,23,24)
InChIKeyRHEXMIJKOYOMGY-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis[2-(butylcarbamoyl)phenyl]hexanediamide
CID 17149668
2-(hexacosanoylamino)benzoic acid
CID 123304158
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
N-benzylundecanamide
CID 5078198
4-[[2-(tetradecanoylamino)benzoyl]amino]benzoic acid
CID 155548580
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
N-(2-methylpropyl)-2-(pentanoylamino)benzamide
CID 34734618
2-(octadec-9-enoylamino)benzoic acid
CID 54292093
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330
N-butyl-2-hydroxy-3-(6-phenylhexanoylamino)benzamide
CID 132561549
2-(hexanoylamino)-N-[(1S)-1-phenylethyl]benzamide
CID 9240215
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl] propanoate
CID 9015181

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(heptanoylamino)benzamide?
The IUPAC name of N-benzyl-2-(heptanoylamino)benzamide (CID 54789241) is N-benzyl-2-(heptanoylamino)benzamide.
What is the SMILES notation for N-benzyl-2-(heptanoylamino)benzamide?
The canonical SMILES for N-benzyl-2-(heptanoylamino)benzamide is CCCCCCC(=O)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(heptanoylamino)benzamide?
The InChIKey is RHEXMIJKOYOMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-3-4-8-15-20(24)23-19-14-10-9-13-18(19)21(25)22-16-17-11-6-5-7-12-17/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,22,25)(H,23,24).
What are the key properties of N-benzyl-2-(heptanoylamino)benzamide?
N-benzyl-2-(heptanoylamino)benzamide has a molecular weight of 338.45 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(heptanoylamino)benzamide is sourced from PubChem (CID 54789241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).