(2S)-2-phenyl-N-(3-phenylpropyl)butanamide

C19H23NO — CID 2300118

IUPAC(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
SMILESCC[C@H](C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-18(17-13-7-4-8-14-17)19(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeySXIUAIIOTPDKMU-SFHVURJKSA-N
MW281.40 g/mol
LogP3.93
Rot. Bonds7

About (2S)-2-phenyl-N-(3-phenylpropyl)butanamide

(2S)-2-phenyl-N-(3-phenylpropyl)butanamide (PubChem CID 2300118) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(3-phenylpropyl)butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
PubChem CID2300118
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC Name(2S)-2-phenyl-N-(3-phenylpropyl)butanamide
SMILESCC[C@H](C(=O)NCCCc1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO/c1-2-18(17-13-7-4-8-14-17)19(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H,20,21)/t18-/m0/s1
InChIKeySXIUAIIOTPDKMU-SFHVURJKSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.93
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

(2R)-2-methyl-N-(3-phenylpropyl)butanamide
CID 94018072
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
(2S)-2-amino-N-(3-phenylpropyl)butanamide
CID 79024488
N-(2-bromoethyl)-2-phenylbutanamide
CID 4632577
N-(4-aminopentyl)-2-phenylbutanamide
CID 106122519
N-(5-bromo-4-methylpentyl)-2-phenylbutanamide
CID 106157795
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
(2S)-2-amino-3-methyl-N-(3-phenylpropyl)pentanamide
CID 22690930
N-(3-phenylpropyl)-2-sulfanylpropanamide
CID 107023594
N-[2-(2-phenylbutanoylamino)ethyl]furan-2-carboxamide
CID 42891707
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-phenylbutanoate
CID 46619032
2-(3,4-dihydroxyphenyl)-N-(2-phenylethyl)butanamide
CID 139641554

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(3-phenylpropyl)butanamide?
The IUPAC name of (2S)-2-phenyl-N-(3-phenylpropyl)butanamide (CID 2300118) is (2S)-2-phenyl-N-(3-phenylpropyl)butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(3-phenylpropyl)butanamide?
The canonical SMILES for (2S)-2-phenyl-N-(3-phenylpropyl)butanamide is CC[C@H](C(=O)NCCCc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(3-phenylpropyl)butanamide?
The InChIKey is SXIUAIIOTPDKMU-SFHVURJKSA-N. The full InChI is InChI=1S/C19H23NO/c1-2-18(17-13-7-4-8-14-17)19(21)20-15-9-12-16-10-5-3-6-11-16/h3-8,10-11,13-14,18H,2,9,12,15H2,1H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(3-phenylpropyl)butanamide?
(2S)-2-phenyl-N-(3-phenylpropyl)butanamide has a molecular weight of 281.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(3-phenylpropyl)butanamide is sourced from PubChem (CID 2300118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).