N-(1-oxo-4-phenylbutan-2-yl)formamide

C11H13NO2 — CID 72648475

IUPACN-(1-oxo-4-phenylbutan-2-yl)formamide
SMILESO=CNC(C=O)CCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-8-11(12-9-14)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,12,14)
InChIKeyPDUQICWCOMVICX-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.93
Rot. Bonds6

About N-(1-oxo-4-phenylbutan-2-yl)formamide

N-(1-oxo-4-phenylbutan-2-yl)formamide (PubChem CID 72648475) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(1-oxo-4-phenylbutan-2-yl)formamide.

Molecular Properties

Compound NameN-(1-oxo-4-phenylbutan-2-yl)formamide
PubChem CID72648475
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(1-oxo-4-phenylbutan-2-yl)formamide
SMILESO=CNC(C=O)CCc1ccccc1
InChIInChI=1S/C11H13NO2/c13-8-11(12-9-14)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,12,14)
InChIKeyPDUQICWCOMVICX-UHFFFAOYSA-N
XLogP0.93
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-4-(4-phenylphenyl)butan-2-yl]formamide
CID 163300543
N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 57228537
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
(2S,3R)-2,3-dimethyl-5-phenylpentanal
CID 88857677
N-(1-oxo-4-phenylbutan-2-yl)pyridine-2-carboxamide
CID 134998602
2-formamido-6-phenylhexanoic acid
CID 114333732
(3R)-N-methyl-5-phenylpent-1-en-3-amine
CID 124509710
N-[(2S)-2-(methylamino)-4-phenylbutyl]formamide
CID 145164084
2-cyclopropyl-4-phenylbutanal
CID 83829133
N-benzyl-5-phenylpent-1-en-3-amine
CID 11402494
(2S)-2-(methylamino)-3-phenylpropanal
CID 22820878
4-fluoro-N-[(2R)-1-oxo-5-phenylpentan-2-yl]benzamide
CID 173354336

Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-4-phenylbutan-2-yl)formamide?
The IUPAC name of N-(1-oxo-4-phenylbutan-2-yl)formamide (CID 72648475) is N-(1-oxo-4-phenylbutan-2-yl)formamide.
What is the SMILES notation for N-(1-oxo-4-phenylbutan-2-yl)formamide?
The canonical SMILES for N-(1-oxo-4-phenylbutan-2-yl)formamide is O=CNC(C=O)CCc1ccccc1.
What is the InChIKey of N-(1-oxo-4-phenylbutan-2-yl)formamide?
The InChIKey is PDUQICWCOMVICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-8-11(12-9-14)7-6-10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2,(H,12,14).
What are the key properties of N-(1-oxo-4-phenylbutan-2-yl)formamide?
N-(1-oxo-4-phenylbutan-2-yl)formamide has a molecular weight of 191.23 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-4-phenylbutan-2-yl)formamide is sourced from PubChem (CID 72648475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).