N-[(2S)-4-phenylbutan-2-yl]decanamide

C20H33NO — CID 98131356

IUPACN-[(2S)-4-phenylbutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H33NO/c1-3-4-5-6-7-8-12-15-20(22)21-18(2)16-17-19-13-10-9-11-14-19/h9-11,13-14,18H,3-8,12,15-17H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyQUHAEVREYFTQBP-SFHVURJKSA-N
MW303.49 g/mol
LogP5.26
Rot. Bonds12

About N-[(2S)-4-phenylbutan-2-yl]decanamide

N-[(2S)-4-phenylbutan-2-yl]decanamide (PubChem CID 98131356) has the molecular formula C20H33NO and a molecular weight of 303.49 g/mol. Its IUPAC name is N-[(2S)-4-phenylbutan-2-yl]decanamide.

Molecular Properties

Compound NameN-[(2S)-4-phenylbutan-2-yl]decanamide
PubChem CID98131356
Molecular FormulaC20H33NO
Molecular Weight303.49 g/mol
Exact Mass303.26
IUPAC NameN-[(2S)-4-phenylbutan-2-yl]decanamide
SMILESCCCCCCCCCC(=O)N[C@@H](C)CCc1ccccc1
InChIInChI=1S/C20H33NO/c1-3-4-5-6-7-8-12-15-20(22)21-18(2)16-17-19-13-10-9-11-14-19/h9-11,13-14,18H,3-8,12,15-17H2,1-2H3,(H,21,22)/t18-/m0/s1
InChIKeyQUHAEVREYFTQBP-SFHVURJKSA-N
XLogP5.26
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.49
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
N-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]dodecanamide
CID 25172177
N-[(2S)-1-phenylpropan-2-yl]heptanamide
CID 102304960
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
2-(heptanoylamino)-4-phenylbutanoic acid
CID 114916720
4-phenyl-N-propan-2-ylbutanamide;N-propan-2-yltetradecanamide
CID 160985746
N-[3-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]octanamide
CID 42703705
(3S)-3-methyl-1-phenylpentadecan-4-one
CID 158218990
(3S)-3-methyl-1-phenyltridecan-4-one
CID 157198847
3-[3-oxo-3-(4-phenylbutan-2-ylamino)propyl]sulfanyl-N-(4-phenylbutan-2-yl)propanamide
CID 4172358
4-oxo-4-[[(2S)-4-phenylbutan-2-yl]amino]butanoate
CID 2223864
N-pentan-2-ylundecanamide
CID 173258559

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-phenylbutan-2-yl]decanamide?
The IUPAC name of N-[(2S)-4-phenylbutan-2-yl]decanamide (CID 98131356) is N-[(2S)-4-phenylbutan-2-yl]decanamide.
What is the SMILES notation for N-[(2S)-4-phenylbutan-2-yl]decanamide?
The canonical SMILES for N-[(2S)-4-phenylbutan-2-yl]decanamide is CCCCCCCCCC(=O)N[C@@H](C)CCc1ccccc1.
What is the InChIKey of N-[(2S)-4-phenylbutan-2-yl]decanamide?
The InChIKey is QUHAEVREYFTQBP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33NO/c1-3-4-5-6-7-8-12-15-20(22)21-18(2)16-17-19-13-10-9-11-14-19/h9-11,13-14,18H,3-8,12,15-17H2,1-2H3,(H,21,22)/t18-/m0/s1.
What are the key properties of N-[(2S)-4-phenylbutan-2-yl]decanamide?
N-[(2S)-4-phenylbutan-2-yl]decanamide has a molecular weight of 303.49 g/mol, XLogP of 5.26, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-phenylbutan-2-yl]decanamide is sourced from PubChem (CID 98131356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).