4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

C20H26N2O2 — CID 35559791

IUPAC4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1CCCCCC1
InChIInChI=1S/C20H26N2O2/c23-19(21-17-5-3-1-2-4-6-17)14-9-15-7-10-16(11-8-15)20(24)22-18-12-13-18/h7-11,14,17-18H,1-6,12-13H2,(H,21,23)(H,22,24)/b14-9+
InChIKeyWLEHYYAWLKZJQS-NTEUORMPSA-N
MW326.44 g/mol
LogP3.43
Rot. Bonds5

About 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide

4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide (PubChem CID 35559791) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
PubChem CID35559791
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
SMILESO=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1CCCCCC1
InChIInChI=1S/C20H26N2O2/c23-19(21-17-5-3-1-2-4-6-17)14-9-15-7-10-16(11-8-15)20(24)22-18-12-13-18/h7-11,14,17-18H,1-6,12-13H2,(H,21,23)(H,22,24)/b14-9+
InChIKeyWLEHYYAWLKZJQS-NTEUORMPSA-N
XLogP3.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.43
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-tert-butylphenyl)-N-cyclohexylprop-2-enamide
CID 1322783
3-[4-(cyclobutylcarbamoyl)phenyl]prop-2-enoic acid
CID 76943368
(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-N-cyclooctyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 6267818
(Z)-N-cycloheptyl-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 19167042
N-cyclohexyl-4-[(E)-3,3-dimethylbut-1-enyl]benzamide
CID 59811420
(Z)-N-cyclooctyl-3-(4-ethylphenyl)prop-2-enamide
CID 19579728
N-cyclopropyl-4-[(E)-3-(3-hydroxypropylamino)-3-oxoprop-1-enyl]benzamide
CID 78854415
N-cycloheptyl-3-(4-nitrophenyl)prop-2-enamide
CID 3655880
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
N-cyclopropyl-4-[(E)-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]benzamide
CID 35551214
methyl 1-[[(E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoyl]amino]cyclohexane-1-carboxylate
CID 46569343

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide (CID 35559791) is 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide is O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1CCCCCC1.
What is the InChIKey of 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The InChIKey is WLEHYYAWLKZJQS-NTEUORMPSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19(21-17-5-3-1-2-4-6-17)14-9-15-7-10-16(11-8-15)20(24)22-18-12-13-18/h7-11,14,17-18H,1-6,12-13H2,(H,21,23)(H,22,24)/b14-9+.
What are the key properties of 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 35559791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).