(2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide

C18H19N3O — CID 142372186

IUPAC(2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide
SMILES[H]/N=C(/C=C\Nc1ccccc1)NC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(15-8-4-2-5-9-15)18(22)21-17(19)12-13-20-16-10-6-3-7-11-16/h2-14,20H,1H3,(H2,19,21,22)/b13-12-/t14-/m0/s1
InChIKeyPSFHOZLHAKFVQQ-DINCDJDBSA-N
MW293.37 g/mol
LogP3.51
Rot. Bonds5

About (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide

(2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide (PubChem CID 142372186) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide
PubChem CID142372186
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name(2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide
SMILES[H]/N=C(/C=C\Nc1ccccc1)NC(=O)[C@@H](C)c1ccccc1
InChIInChI=1S/C18H19N3O/c1-14(15-8-4-2-5-9-15)18(22)21-17(19)12-13-20-16-10-6-3-7-11-16/h2-14,20H,1H3,(H2,19,21,22)/b13-12-/t14-/m0/s1
InChIKeyPSFHOZLHAKFVQQ-DINCDJDBSA-N
XLogP3.51
TPSA64.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-acetyl-2-phenylpropanamide
CID 134890422
N-[(1Z,3Z)-3-ethyl-5-methylhexa-1,3-dienyl]aniline
CID 134513247
(2S)-2-phenyl-N-sulfanylpropanamide
CID 146642681
(Z)-3-anilinoprop-2-enamide
CID 143937122
(Z)-1-anilino-4-hydroxy-5,5-dimethylhex-1-en-3-one
CID 135045536
methyl (2R)-2-phenylpropanimidate
CID 92977760
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2R)-N-methoxy-2-phenylpropanamide
CID 131067254
N-(4-formylphenyl)-2-phenylpropanamide
CID 87347129
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide?
The IUPAC name of (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide (CID 142372186) is (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide.
What is the SMILES notation for (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide?
The canonical SMILES for (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide is [H]/N=C(/C=C\Nc1ccccc1)NC(=O)[C@@H](C)c1ccccc1.
What is the InChIKey of (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide?
The InChIKey is PSFHOZLHAKFVQQ-DINCDJDBSA-N. The full InChI is InChI=1S/C18H19N3O/c1-14(15-8-4-2-5-9-15)18(22)21-17(19)12-13-20-16-10-6-3-7-11-16/h2-14,20H,1H3,(H2,19,21,22)/b13-12-/t14-/m0/s1.
What are the key properties of (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide?
(2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide has a molecular weight of 293.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(Z)-3-anilinoprop-2-enimidoyl]-2-phenylpropanamide is sourced from PubChem (CID 142372186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).