4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide

C30H54N2O2 — CID 160985746

IUPAC4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
SMILESCC(C)NC(=O)CCCc1ccccc1.CCCCCCCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C17H35NO.C13H19NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(19)18-16(2)3;1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12/h16H,4-15H2,1-3H3,(H,18,19);3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyTTYJDYXEFPLFPR-UHFFFAOYSA-N
MW474.77 g/mol
LogP7.75
Rot. Bonds18

About 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide

4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide (PubChem CID 160985746) has the molecular formula C30H54N2O2 and a molecular weight of 474.77 g/mol. Its IUPAC name is 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide.

Molecular Properties

Compound Name4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
PubChem CID160985746
Molecular FormulaC30H54N2O2
Molecular Weight474.77 g/mol
Exact Mass474.42
IUPAC Name4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
SMILESCC(C)NC(=O)CCCc1ccccc1.CCCCCCCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C17H35NO.C13H19NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(19)18-16(2)3;1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12/h16H,4-15H2,1-3H3,(H,18,19);3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15)
InChIKeyTTYJDYXEFPLFPR-UHFFFAOYSA-N
XLogP7.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.77
LogP ≤ 57.75
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-[(2S)-4-phenylbutan-2-yl]decanamide
CID 98131356
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
(2S)-2-(8-phenyloctanoylamino)pentanoic acid
CID 67898131
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
CID 42703705
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
2-(dodecanoylamino)-3-phenylpropanoic acid
CID 14509918
(2S)-2-(nonadecanoylamino)-3-phenylpropanoic acid
CID 171116992
(2R)-2-(dodecanoylamino)-3-phenylpropanoic acid
CID 10936951
3-phenyl-2-(undecanoylamino)propanoic acid
CID 71318408

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide?
The IUPAC name of 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide (CID 160985746) is 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide.
What is the SMILES notation for 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide?
The canonical SMILES for 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide is CC(C)NC(=O)CCCc1ccccc1.CCCCCCCCCCCCCC(=O)NC(C)C.
What is the InChIKey of 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide?
The InChIKey is TTYJDYXEFPLFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO.C13H19NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-17(19)18-16(2)3;1-11(2)14-13(15)10-6-9-12-7-4-3-5-8-12/h16H,4-15H2,1-3H3,(H,18,19);3-5,7-8,11H,6,9-10H2,1-2H3,(H,14,15).
What are the key properties of 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide?
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide has a molecular weight of 474.77 g/mol, XLogP of 7.75, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide is sourced from PubChem (CID 160985746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).