N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide

C23H24N2O2 — CID 39997247

IUPACN-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C23H24N2O2/c26-21(25-23(15-4-16-23)19-5-2-1-3-6-19)14-9-17-7-10-18(11-8-17)22(27)24-20-12-13-20/h1-3,5-11,14,20H,4,12-13,15-16H2,(H,24,27)(H,25,26)/b14-9+
InChIKeyRADOTHIMSDVXGL-NTEUORMPSA-N
MW360.46 g/mol
LogP3.79
Rot. Bonds6

About N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide

N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide (PubChem CID 39997247) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
PubChem CID39997247
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC NameN-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(c2ccccc2)CCC1
InChIInChI=1S/C23H24N2O2/c26-21(25-23(15-4-16-23)19-5-2-1-3-6-19)14-9-17-7-10-18(11-8-17)22(27)24-20-12-13-20/h1-3,5-11,14,20H,4,12-13,15-16H2,(H,24,27)(H,25,26)/b14-9+
InChIKeyRADOTHIMSDVXGL-NTEUORMPSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-methoxyphenyl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 25470093
4-[(E)-3-[(1-cyanocyclopentyl)amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 75535401
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
methyl 1-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]cyclohexane-1-carboxylate
CID 46569343
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
CID 76943368
(E)-N-(1-phenylcyclobutyl)but-2-enamide
CID 110478044
4-[(E)-3-[(4-cyano-1-methylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 75361658
N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
(E)-3-(furan-2-yl)-N-(1-phenylcyclobutyl)prop-2-enamide
CID 51273013
4-[(E)-3-[(2-chlorophenyl)methylamino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35504342
N-cyclopropyl-4-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]benzamide
CID 35557202

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide (CID 39997247) is N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1(c2ccccc2)CCC1.
What is the InChIKey of N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
The InChIKey is RADOTHIMSDVXGL-NTEUORMPSA-N. The full InChI is InChI=1S/C23H24N2O2/c26-21(25-23(15-4-16-23)19-5-2-1-3-6-19)14-9-17-7-10-18(11-8-17)22(27)24-20-12-13-20/h1-3,5-11,14,20H,4,12-13,15-16H2,(H,24,27)(H,25,26)/b14-9+.
What are the key properties of N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide?
N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide has a molecular weight of 360.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[(E)-3-oxo-3-[(1-phenylcyclobutyl)amino]prop-1-enyl]benzamide is sourced from PubChem (CID 39997247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).