N-methanimidoyl-2-phenylpentanamide

C12H16N2O — CID 173495989

IUPACN-methanimidoyl-2-phenylpentanamide
SMILES[H]/N=C/NC(=O)C(CCC)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-6-11(12(15)14-9-13)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3,(H2,13,14,15)
InChIKeyFJYHWEMKNSQACV-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.29
Rot. Bonds5

About N-methanimidoyl-2-phenylpentanamide

N-methanimidoyl-2-phenylpentanamide (PubChem CID 173495989) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N-methanimidoyl-2-phenylpentanamide.

Molecular Properties

Compound NameN-methanimidoyl-2-phenylpentanamide
PubChem CID173495989
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN-methanimidoyl-2-phenylpentanamide
SMILES[H]/N=C/NC(=O)C(CCC)c1ccccc1
InChIInChI=1S/C12H16N2O/c1-2-6-11(12(15)14-9-13)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3,(H2,13,14,15)
InChIKeyFJYHWEMKNSQACV-UHFFFAOYSA-N
XLogP2.29
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylphenyl)-2-phenylpentanamide
CID 78775166
N-(3-acetamido-2-methylphenyl)-2-phenylpentanamide
CID 134019127
2-phenyl-N-(1,3-thiazol-2-ylmethyl)pentanamide
CID 129204775
ethane;propan-2-yl 2-phenylpentanoate
CID 145424000
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186
(2R)-N-(3-methylsulfonylphenyl)-2-phenylpentanamide
CID 9071410
(2S)-N-[2-(2-bromoanilino)-2-oxoethyl]-2-phenylpentanamide
CID 9440741
sulfanyl 2-phenylpentanoate
CID 174681002
4-methyl-2-[(2-phenylpentanoylamino)methyl]pentanoic acid
CID 119253008
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
CID 60607222
N-(3-acetylphenyl)-2-phenylpentanamide
CID 43009729
4-fluoro-N'-[(2S)-2-phenylpentanoyl]benzohydrazide
CID 9340857

Frequently Asked Questions

What is the IUPAC name of N-methanimidoyl-2-phenylpentanamide?
The IUPAC name of N-methanimidoyl-2-phenylpentanamide (CID 173495989) is N-methanimidoyl-2-phenylpentanamide.
What is the SMILES notation for N-methanimidoyl-2-phenylpentanamide?
The canonical SMILES for N-methanimidoyl-2-phenylpentanamide is [H]/N=C/NC(=O)C(CCC)c1ccccc1.
What is the InChIKey of N-methanimidoyl-2-phenylpentanamide?
The InChIKey is FJYHWEMKNSQACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-2-6-11(12(15)14-9-13)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3,(H2,13,14,15).
What are the key properties of N-methanimidoyl-2-phenylpentanamide?
N-methanimidoyl-2-phenylpentanamide has a molecular weight of 204.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanimidoyl-2-phenylpentanamide is sourced from PubChem (CID 173495989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).