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

C24H26N2O3 — CID 55564049

IUPAC4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
SMILESO=C(C=Cc1ccc(C(=O)NC2CC2)cc1)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C24H26N2O3/c27-23(25-20-4-3-7-22(16-20)29-21-5-1-2-6-21)15-10-17-8-11-18(12-9-17)24(28)26-19-13-14-19/h3-4,7-12,15-16,19,21H,1-2,5-6,13-14H2,(H,25,27)(H,26,28)
InChIKeyBTWFCQUKSMBRDD-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.55
Rot. Bonds7

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

4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide (PubChem CID 55564049) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
PubChem CID55564049
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
SMILESO=C(C=Cc1ccc(C(=O)NC2CC2)cc1)Nc1cccc(OC2CCCC2)c1
InChIInChI=1S/C24H26N2O3/c27-23(25-20-4-3-7-22(16-20)29-21-5-1-2-6-21)15-10-17-8-11-18(12-9-17)24(28)26-19-13-14-19/h3-4,7-12,15-16,19,21H,1-2,5-6,13-14H2,(H,25,27)(H,26,28)
InChIKeyBTWFCQUKSMBRDD-UHFFFAOYSA-N
XLogP4.55
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-3-[3-(cyanomethoxy)anilino]-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 55800283
N-cyclopropyl-4-[(E)-3-oxo-3-(pyridin-3-ylamino)prop-1-enyl]benzamide
CID 35556282
N-cyclopropyl-4-[(E)-3-(2,3-dihydro-1H-inden-5-ylamino)-3-oxoprop-1-enyl]benzamide
CID 35557202
(E)-3-(4-chlorophenyl)-N-[3-(oxan-2-yloxy)phenyl]prop-2-enamide
CID 146312382
N-cyclopropyl-4-[(E)-3-oxo-3-(4-phenylanilino)prop-1-enyl]benzamide
CID 55573881
4-[(E)-3-(cycloheptylamino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 35559791
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917
N-cyclopropyl-4-[(E)-3-(2,5-difluoroanilino)-3-oxoprop-1-enyl]benzamide
CID 35504273
N-cyclopropyl-4-[[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]amino]benzamide
CID 51300094
2-(3-cyclopentyloxyphenyl)-3-[4-[3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]-N-phenylprop-2-enamide
CID 74440151
(3-carbamoylphenyl) (E)-3-[4-(cyclopropylcarbamoyl)phenyl]prop-2-enoate
CID 55642993
N-cyclopropyl-4-[(E)-3-oxo-3-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]prop-1-enyl]benzamide
CID 134020077

Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide (CID 55564049) is 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide is O=C(C=Cc1ccc(C(=O)NC2CC2)cc1)Nc1cccc(OC2CCCC2)c1.
What is the InChIKey of 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
The InChIKey is BTWFCQUKSMBRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c27-23(25-20-4-3-7-22(16-20)29-21-5-1-2-6-21)15-10-17-8-11-18(12-9-17)24(28)26-19-13-14-19/h3-4,7-12,15-16,19,21H,1-2,5-6,13-14H2,(H,25,27)(H,26,28).
What are the key properties of 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide?
4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide has a molecular weight of 390.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-cyclopentyloxyanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 55564049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).