N,N-dihexyl-3-phenylpropanamide

C21H35NO — CID 532921

IUPACN,N-dihexyl-3-phenylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCc1ccccc1
InChIInChI=1S/C21H35NO/c1-3-5-7-12-18-22(19-13-8-6-4-2)21(23)17-16-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3
InChIKeyDWWGRGZSSZIIPB-UHFFFAOYSA-N
MW317.52 g/mol
LogP5.61
Rot. Bonds13

About N,N-dihexyl-3-phenylpropanamide

N,N-dihexyl-3-phenylpropanamide (PubChem CID 532921) has the molecular formula C21H35NO and a molecular weight of 317.52 g/mol. Its IUPAC name is N,N-dihexyl-3-phenylpropanamide.

Molecular Properties

Compound NameN,N-dihexyl-3-phenylpropanamide
PubChem CID532921
Molecular FormulaC21H35NO
Molecular Weight317.52 g/mol
Exact Mass317.27
IUPAC NameN,N-dihexyl-3-phenylpropanamide
SMILESCCCCCCN(CCCCCC)C(=O)CCc1ccccc1
InChIInChI=1S/C21H35NO/c1-3-5-7-12-18-22(19-13-8-6-4-2)21(23)17-16-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3
InChIKeyDWWGRGZSSZIIPB-UHFFFAOYSA-N
XLogP5.61
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.52
LogP ≤ 55.61
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-dodecyl-N-ethyl-3-phenylpropanamide
CID 91693976
N-(2-aminoethyl)-N-butyl-4-phenylbutanamide
CID 63754072
N-(2-aminoethyl)-3-phenyl-N-propylpropanamide
CID 61348391
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
methyl 3-[dodecanoyl(2-phenylethyl)amino]propanoate
CID 42702284
N,N-dibutyl-3-(4-fluorophenyl)propanamide
CID 46906422
bis(N-methyl-N-(4-phenylbutyl)nonan-1-amine);oxalic acid
CID 173427638
carbonic acid;pentylbenzene
CID 157127683
hexylbenzene;hydrogen peroxide
CID 90001206
N-benzyl-2-bromo-N-hexylacetamide
CID 68872277
N-benzyl-N-(2-phenylethyl)pentanamide
CID 112791262
pentadecanoic acid;3-phenylpropylbenzene
CID 158688900

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-3-phenylpropanamide?
The IUPAC name of N,N-dihexyl-3-phenylpropanamide (CID 532921) is N,N-dihexyl-3-phenylpropanamide.
What is the SMILES notation for N,N-dihexyl-3-phenylpropanamide?
The canonical SMILES for N,N-dihexyl-3-phenylpropanamide is CCCCCCN(CCCCCC)C(=O)CCc1ccccc1.
What is the InChIKey of N,N-dihexyl-3-phenylpropanamide?
The InChIKey is DWWGRGZSSZIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35NO/c1-3-5-7-12-18-22(19-13-8-6-4-2)21(23)17-16-20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3.
What are the key properties of N,N-dihexyl-3-phenylpropanamide?
N,N-dihexyl-3-phenylpropanamide has a molecular weight of 317.52 g/mol, XLogP of 5.61, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-3-phenylpropanamide is sourced from PubChem (CID 532921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).