4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide

C21H24N4O2 — CID 126735584

IUPAC4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide
SMILES[H]/N=C/C(=C\N)c1ccc(C(=O)NC(CC(=O)NC)c2ccccc2)cc1C
InChIInChI=1S/C21H24N4O2/c1-14-10-16(8-9-18(14)17(12-22)13-23)21(27)25-19(11-20(26)24-2)15-6-4-3-5-7-15/h3-10,12-13,19,22H,11,23H2,1-2H3,(H,24,26)(H,25,27)/b17-13+,22-12+
InChIKeyXAZZFBZKLAJPIL-IVHPCTTCSA-N
MW364.45 g/mol
LogP2.55
Rot. Bonds7

About 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide

4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide (PubChem CID 126735584) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide
PubChem CID126735584
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide
SMILES[H]/N=C/C(=C\N)c1ccc(C(=O)NC(CC(=O)NC)c2ccccc2)cc1C
InChIInChI=1S/C21H24N4O2/c1-14-10-16(8-9-18(14)17(12-22)13-23)21(27)25-19(11-20(26)24-2)15-6-4-3-5-7-15/h3-10,12-13,19,22H,11,23H2,1-2H3,(H,24,26)(H,25,27)/b17-13+,22-12+
InChIKeyXAZZFBZKLAJPIL-IVHPCTTCSA-N
XLogP2.55
TPSA108.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-3-[2-(2,4-dimethylbenzoyl)hydrazinyl]-3-oxo-1-phenylpropyl]benzamide
CID 9276070
3-[(3-fluoro-4-methylbenzoyl)amino]-3-phenylpropanoic acid
CID 16777891
4-[(3-benzamido-3-phenylpropanoyl)amino]-N-methylbenzamide
CID 55333107
3,4-dimethyl-N-(3-methyl-1-phenylbutyl)benzamide
CID 133160183
ethyl 3-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]-3-phenylpropanoate
CID 60590432
3-amino-4-methyl-N-(1-phenylpropyl)benzamide
CID 62304004
N-[(1R)-3-(2-methylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 7946567
N-[(1S)-3-(2,6-dimethylanilino)-3-oxo-1-phenylpropyl]benzamide
CID 51870095
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-benzamido-3-phenylpropanoate
CID 18226931
ethyl 3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18323152
4-amino-3-ethanimidoyl-N-(1-phenylpropyl)benzamide
CID 134567049
N-[(1S)-3-(ethylamino)-3-oxo-1-phenylpropyl]benzamide
CID 94041793

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide (CID 126735584) is 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide is [H]/N=C/C(=C\N)c1ccc(C(=O)NC(CC(=O)NC)c2ccccc2)cc1C.
What is the InChIKey of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is XAZZFBZKLAJPIL-IVHPCTTCSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-10-16(8-9-18(14)17(12-22)13-23)21(27)25-19(11-20(26)24-2)15-6-4-3-5-7-15/h3-10,12-13,19,22H,11,23H2,1-2H3,(H,24,26)(H,25,27)/b17-13+,22-12+.
What are the key properties of 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide?
4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 364.45 g/mol, XLogP of 2.55, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methyl-N-[3-(methylamino)-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 126735584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).