N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide

C17H19NO — CID 163300543

IUPACN-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide
SMILESC[C@@H](CCc1ccc(-c2ccccc2)cc1)NC=O
InChIInChI=1S/C17H19NO/c1-14(18-13-19)7-8-15-9-11-17(12-10-15)16-5-3-2-4-6-16/h2-6,9-14H,7-8H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyOJCRIWCIWTYZMW-AWEZNQCLSA-N
MW253.35 g/mol
LogP3.42
Rot. Bonds6

About N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide

N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide (PubChem CID 163300543) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide
PubChem CID163300543
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC NameN-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide
SMILESC[C@@H](CCc1ccc(-c2ccccc2)cc1)NC=O
InChIInChI=1S/C17H19NO/c1-14(18-13-19)7-8-15-9-11-17(12-10-15)16-5-3-2-4-6-16/h2-6,9-14H,7-8H2,1H3,(H,18,19)/t14-/m0/s1
InChIKeyOJCRIWCIWTYZMW-AWEZNQCLSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
N,4-dimethyl-1-(4-phenylphenyl)pentan-3-amine
CID 65455710
N-(1-oxo-4-phenylbutan-2-yl)formamide
CID 72648475
N-[(2S)-4-[2-methyl-5-(4-methylphenyl)phenyl]butan-2-yl]formamide
CID 176925575
1,1,1-trifluoro-4-(4-phenylphenyl)butan-2-amine
CID 132588713
2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
4-phenylbutan-2-ylhydrazine
CID 28622
N-[(4-phenylphenyl)methyl]formamide
CID 54112237
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
N,N'-bis[(2R)-4-phenylbutan-2-yl]hexanediamide
CID 7406180
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide?
The IUPAC name of N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide (CID 163300543) is N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide?
The canonical SMILES for N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide is C[C@@H](CCc1ccc(-c2ccccc2)cc1)NC=O.
What is the InChIKey of N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide?
The InChIKey is OJCRIWCIWTYZMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19NO/c1-14(18-13-19)7-8-15-9-11-17(12-10-15)16-5-3-2-4-6-16/h2-6,9-14H,7-8H2,1H3,(H,18,19)/t14-/m0/s1.
What are the key properties of N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide?
N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide has a molecular weight of 253.35 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide is sourced from PubChem (CID 163300543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).