N-heptan-2-yl-N-(3-phenylphenyl)butanamide

C23H31NO — CID 71106689

IUPACN-heptan-2-yl-N-(3-phenylphenyl)butanamide
SMILESCCCCCC(C)N(C(=O)CCC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H31NO/c1-4-6-8-13-19(3)24(23(25)12-5-2)22-17-11-16-21(18-22)20-14-9-7-10-15-20/h7,9-11,14-19H,4-6,8,12-13H2,1-3H3
InChIKeyKYNMULDERJXPSF-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.46
Rot. Bonds9

About N-heptan-2-yl-N-(3-phenylphenyl)butanamide

N-heptan-2-yl-N-(3-phenylphenyl)butanamide (PubChem CID 71106689) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is N-heptan-2-yl-N-(3-phenylphenyl)butanamide.

Molecular Properties

Compound NameN-heptan-2-yl-N-(3-phenylphenyl)butanamide
PubChem CID71106689
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC NameN-heptan-2-yl-N-(3-phenylphenyl)butanamide
SMILESCCCCCC(C)N(C(=O)CCC)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C23H31NO/c1-4-6-8-13-19(3)24(23(25)12-5-2)22-17-11-16-21(18-22)20-14-9-7-10-15-20/h7,9-11,14-19H,4-6,8,12-13H2,1-3H3
InChIKeyKYNMULDERJXPSF-UHFFFAOYSA-N
XLogP6.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethylphenyl)-N-heptan-2-yl-3,3-dimethylbutanamide
CID 18735943
N-(3-chlorophenyl)-N-heptan-2-yl-2-methylbutanamide
CID 71107165
1,1'-biphenyl;2-methyloctanoate
CID 22157313
sodium (2R)-2-(N-hexadecanoylanilino)propanoate
CID 50899377
2-[dodecanoyl(naphthalen-2-yl)amino]propanoic acid
CID 139753350
1,1'-biphenyl;heptadecan-9-one
CID 19613965
4-amino-N-methyl-N-phenyltetradecanamide
CID 154348615
(2R)-2-methyl-4-oxo-N,N-diphenylundecanamide
CID 101487934
1,1'-biphenyl;hexadecane
CID 173308514
N-nonadecan-10-yl-N-phenylaniline
CID 175110004
N-nonan-5-yl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 71106762
N-methyl-N-phenylnonanamide
CID 54136731

Frequently Asked Questions

What is the IUPAC name of N-heptan-2-yl-N-(3-phenylphenyl)butanamide?
The IUPAC name of N-heptan-2-yl-N-(3-phenylphenyl)butanamide (CID 71106689) is N-heptan-2-yl-N-(3-phenylphenyl)butanamide.
What is the SMILES notation for N-heptan-2-yl-N-(3-phenylphenyl)butanamide?
The canonical SMILES for N-heptan-2-yl-N-(3-phenylphenyl)butanamide is CCCCCC(C)N(C(=O)CCC)c1cccc(-c2ccccc2)c1.
What is the InChIKey of N-heptan-2-yl-N-(3-phenylphenyl)butanamide?
The InChIKey is KYNMULDERJXPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-4-6-8-13-19(3)24(23(25)12-5-2)22-17-11-16-21(18-22)20-14-9-7-10-15-20/h7,9-11,14-19H,4-6,8,12-13H2,1-3H3.
What are the key properties of N-heptan-2-yl-N-(3-phenylphenyl)butanamide?
N-heptan-2-yl-N-(3-phenylphenyl)butanamide has a molecular weight of 337.51 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-2-yl-N-(3-phenylphenyl)butanamide is sourced from PubChem (CID 71106689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).