N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide

C24H26N2O2 — CID 88565842

IUPACN-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide
SMILESC/C=C(\C=C(/C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-4-18(19-8-6-5-7-9-19)14-17(3)23(27)26-22-15-20(11-10-16(22)2)24(28)25-21-12-13-21/h4-11,14-15,21H,12-13H2,1-3H3,(H,25,28)(H,26,27)/b17-14+,18-4+
InChIKeyGGCZIKZYPXAWQK-ROHWBCOBSA-N
MW374.48 g/mol
LogP4.88
Rot. Bonds6

About N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide

N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide (PubChem CID 88565842) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide
PubChem CID88565842
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide
SMILESC/C=C(\C=C(/C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-4-18(19-8-6-5-7-9-19)14-17(3)23(27)26-22-15-20(11-10-16(22)2)24(28)25-21-12-13-21/h4-11,14-15,21H,12-13H2,1-3H3,(H,25,28)(H,26,27)/b17-14+,18-4+
InChIKeyGGCZIKZYPXAWQK-ROHWBCOBSA-N
XLogP4.88
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloroacetyl)amino]-N-cyclopropyl-4-methylbenzamide
CID 11265619
cis-(1S,3R)-3-[(3-benzamido-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676239
3-benzamido-N-[4-(cyclohexylcarbamoyl)-2-methylphenyl]-4-methylbenzamide
CID 55878666
2-[[5-(cyclopropylcarbamoyl)-2-methylphenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120974842
(E)-N-(5-acetyl-2-methylphenyl)-2-methyl-3-phenylprop-2-enamide
CID 110618434
N-cyclopropyl-4-methyl-3-[[4-(trifluoromethylsulfanyl)benzoyl]amino]benzamide
CID 55786011
4-[[3-[(2-fluorobenzoyl)amino]-4-methylbenzoyl]amino]cyclohexane-1-carboxylic acid
CID 119230189
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]pyrrolidine-1-carboxamide
CID 47039794
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3,4,5-trifluorobenzamide
CID 66631543
N-cyclopropyl-3-(2-methoxypropanoylamino)-4-methylbenzamide
CID 47308191
1-N-(5-chloro-2-methylphenyl)-3-N-cyclopropylbenzene-1,3-dicarboxamide
CID 109050783
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 119283992

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide (CID 88565842) is N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide is C/C=C(\C=C(/C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)c1ccccc1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide?
The InChIKey is GGCZIKZYPXAWQK-ROHWBCOBSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-4-18(19-8-6-5-7-9-19)14-17(3)23(27)26-22-15-20(11-10-16(22)2)24(28)25-21-12-13-21/h4-11,14-15,21H,12-13H2,1-3H3,(H,25,28)(H,26,27)/b17-14+,18-4+.
What are the key properties of N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide?
N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide has a molecular weight of 374.48 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[[(2E,4E)-2-methyl-4-phenylhexa-2,4-dienoyl]amino]benzamide is sourced from PubChem (CID 88565842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).