(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide

C18H30N2O — CID 142497406

IUPAC(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide
SMILESCCCCCCNC(=O)CC[C@@H](Cc1ccccc1)NC
InChIInChI=1S/C18H30N2O/c1-3-4-5-9-14-20-18(21)13-12-17(19-2)15-16-10-7-6-8-11-16/h6-8,10-11,17,19H,3-5,9,12-15H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyFSISAPCBUBEYLI-KRWDZBQOSA-N
MW290.45 g/mol
LogP3.29
Rot. Bonds11

About (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide

(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide (PubChem CID 142497406) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide.

Molecular Properties

Compound Name(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide
PubChem CID142497406
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide
SMILESCCCCCCNC(=O)CC[C@@H](Cc1ccccc1)NC
InChIInChI=1S/C18H30N2O/c1-3-4-5-9-14-20-18(21)13-12-17(19-2)15-16-10-7-6-8-11-16/h6-8,10-11,17,19H,3-5,9,12-15H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyFSISAPCBUBEYLI-KRWDZBQOSA-N
XLogP3.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.29
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-methyl-1-phenyldecan-2-amine
CID 63412341
N-benzyl-4-(methylamino)heptanamide
CID 142110243
5-[[2-(methylamino)-3-(4-phenylphenyl)propanoyl]amino]-N-pentylpentanamide
CID 171640025
N-[(2S)-1-(dodecylamino)-1-oxo-3-phenylpropan-2-yl]dodecanamide
CID 12049932
N-(4-phenylbutyl)hexanamide
CID 4985988
2-amino-N-decyl-3-phenylpropanamide
CID 122423651
5-(hexylamino)-2-(methylamino)-5-oxopentanoic acid
CID 168992251
N-[3-[benzyl(methyl)amino]butyl]octadecanamide;hydrochloride
CID 175021170
N-[2-(hexylamino)-2-oxoethyl]-2-phenylacetamide
CID 78801953
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
(2S)-2-acetamido-N-hexadecyl-3-phenylpropanamide
CID 101010140
benzyl-[2-(dodecylamino)-2-oxoethyl]-dimethylazanium
CID 7536

Frequently Asked Questions

What is the IUPAC name of (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide?
The IUPAC name of (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide (CID 142497406) is (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide.
What is the SMILES notation for (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide?
The canonical SMILES for (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide is CCCCCCNC(=O)CC[C@@H](Cc1ccccc1)NC.
What is the InChIKey of (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide?
The InChIKey is FSISAPCBUBEYLI-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N2O/c1-3-4-5-9-14-20-18(21)13-12-17(19-2)15-16-10-7-6-8-11-16/h6-8,10-11,17,19H,3-5,9,12-15H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide?
(4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide has a molecular weight of 290.45 g/mol, XLogP of 3.29, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-hexyl-4-(methylamino)-5-phenylpentanamide is sourced from PubChem (CID 142497406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).