3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide

C24H32FNO2 — CID 143927928

IUPAC3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide
SMILESCCC1(NC(=O)CCC2CCCC2)CC=C(OCc2ccc(F)cc2)C=C1C
InChIInChI=1S/C24H32FNO2/c1-3-24(26-23(27)13-10-19-6-4-5-7-19)15-14-22(16-18(24)2)28-17-20-8-11-21(25)12-9-20/h8-9,11-12,14,16,19H,3-7,10,13,15,17H2,1-2H3,(H,26,27)
InChIKeyLHPWKNCAKSLKNM-UHFFFAOYSA-N
MW385.52 g/mol
LogP5.81
Rot. Bonds8

About 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide

3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide (PubChem CID 143927928) has the molecular formula C24H32FNO2 and a molecular weight of 385.52 g/mol. Its IUPAC name is 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide
PubChem CID143927928
Molecular FormulaC24H32FNO2
Molecular Weight385.52 g/mol
Exact Mass385.24
IUPAC Name3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide
SMILESCCC1(NC(=O)CCC2CCCC2)CC=C(OCc2ccc(F)cc2)C=C1C
InChIInChI=1S/C24H32FNO2/c1-3-24(26-23(27)13-10-19-6-4-5-7-19)15-14-22(16-18(24)2)28-17-20-8-11-21(25)12-9-20/h8-9,11-12,14,16,19H,3-7,10,13,15,17H2,1-2H3,(H,26,27)
InChIKeyLHPWKNCAKSLKNM-UHFFFAOYSA-N
XLogP5.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.52
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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(2-Fluorophenyl)methyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate
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3-(2-fluorophenyl)-N-[3-(1-phenylethoxy)propyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide (CID 143927928) is 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide is CCC1(NC(=O)CCC2CCCC2)CC=C(OCc2ccc(F)cc2)C=C1C.
What is the InChIKey of 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide?
The InChIKey is LHPWKNCAKSLKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32FNO2/c1-3-24(26-23(27)13-10-19-6-4-5-7-19)15-14-22(16-18(24)2)28-17-20-8-11-21(25)12-9-20/h8-9,11-12,14,16,19H,3-7,10,13,15,17H2,1-2H3,(H,26,27).
What are the key properties of 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide?
3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide has a molecular weight of 385.52 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[1-ethyl-4-[(4-fluorophenyl)methoxy]-2-methylcyclohexa-2,4-dien-1-yl]propanamide is sourced from PubChem (CID 143927928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).