N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide

C19H21N3O — CID 134567027

IUPACN-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide
SMILES[H]/N=C(\C)c1cc(NC(=O)C(c2ccccc2)C2CC2)ccc1N
InChIInChI=1S/C19H21N3O/c1-12(20)16-11-15(9-10-17(16)21)22-19(23)18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-11,14,18,20H,7-8,21H2,1H3,(H,22,23)/b20-12+
InChIKeyZOVYDZBOJMYNOG-UDWIEESQSA-N
MW307.40 g/mol
LogP3.79
Rot. Bonds5

About N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide

N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide (PubChem CID 134567027) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound NameN-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide
PubChem CID134567027
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC NameN-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide
SMILES[H]/N=C(\C)c1cc(NC(=O)C(c2ccccc2)C2CC2)ccc1N
InChIInChI=1S/C19H21N3O/c1-12(20)16-11-15(9-10-17(16)21)22-19(23)18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-11,14,18,20H,7-8,21H2,1H3,(H,22,23)/b20-12+
InChIKeyZOVYDZBOJMYNOG-UDWIEESQSA-N
XLogP3.79
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopentyl-N-(3,4-dimethylphenyl)-2-phenylacetamide
CID 4556080
2-cyclopropyl-N-(2-methyl-4-pyridinyl)-2-phenylacetamide
CID 110675345
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-[(2-cyclopropyl-2-phenylacetyl)amino]benzamide
CID 110675339
4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
CID 134567049
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
2-cyclopropyl-N-(1-ethylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-2-phenylacetamide
CID 110623306
4-amino-N-(4-amino-3-ethanimidoylphenyl)-2-(3,4-dichloro-2-fluoro-4-methylcyclohexa-1,5-dien-1-yl)butanamide
CID 142270726
N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
CID 83147329
N-[3,5-bis(trifluoromethyl)phenyl]-2-cyclopentyl-2-phenylacetamide
CID 2796967
5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-bromobenzoic acid
CID 115296327

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide?
The IUPAC name of N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide (CID 134567027) is N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide?
The canonical SMILES for N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide is [H]/N=C(\C)c1cc(NC(=O)C(c2ccccc2)C2CC2)ccc1N.
What is the InChIKey of N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide?
The InChIKey is ZOVYDZBOJMYNOG-UDWIEESQSA-N. The full InChI is InChI=1S/C19H21N3O/c1-12(20)16-11-15(9-10-17(16)21)22-19(23)18(14-7-8-14)13-5-3-2-4-6-13/h2-6,9-11,14,18,20H,7-8,21H2,1H3,(H,22,23)/b20-12+.
What are the key properties of N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide?
N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide has a molecular weight of 307.40 g/mol, XLogP of 3.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-ethanimidoylphenyl)-2-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 134567027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).