3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide

C23H28N2O4 — CID 142888751

IUPAC3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCOc1ccc([C@H]2CC(=O)N(C3C=C(C(N)=O)C=CC3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O4/c1-28-20-10-9-15(12-21(20)29-19-7-2-3-8-19)17-13-22(26)25(14-17)18-6-4-5-16(11-18)23(24)27/h4-5,9-12,17-19H,2-3,6-8,13-14H2,1H3,(H2,24,27)/t17-,18?/m0/s1
InChIKeyLRROVDNIDHNCQK-ZENAZSQFSA-N
MW396.49 g/mol
LogP3.07
Rot. Bonds6

About 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide

3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide (PubChem CID 142888751) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide
PubChem CID142888751
Molecular FormulaC23H28N2O4
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC Name3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide
SMILESCOc1ccc([C@H]2CC(=O)N(C3C=C(C(N)=O)C=CC3)C2)cc1OC1CCCC1
InChIInChI=1S/C23H28N2O4/c1-28-20-10-9-15(12-21(20)29-19-7-2-3-8-19)17-13-22(26)25(14-17)18-6-4-5-16(11-18)23(24)27/h4-5,9-12,17-19H,2-3,6-8,13-14H2,1H3,(H2,24,27)/t17-,18?/m0/s1
InChIKeyLRROVDNIDHNCQK-ZENAZSQFSA-N
XLogP3.07
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 10046158
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 10619838
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
N-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzamide
CID 144706065
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 10021760
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10364767
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
1-[3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 10266977
3-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]benzenecarboximidamide
CID 68831352
4-(3-cyclopentyloxy-4-methoxyphenyl)oxane-2,6-dione
CID 71601856
N-(6-amino-2-pyridinyl)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 10295932

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide (CID 142888751) is 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide is COc1ccc([C@H]2CC(=O)N(C3C=C(C(N)=O)C=CC3)C2)cc1OC1CCCC1.
What is the InChIKey of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is LRROVDNIDHNCQK-ZENAZSQFSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-28-20-10-9-15(12-21(20)29-19-7-2-3-8-19)17-13-22(26)25(14-17)18-6-4-5-16(11-18)23(24)27/h4-5,9-12,17-19H,2-3,6-8,13-14H2,1H3,(H2,24,27)/t17-,18?/m0/s1.
What are the key properties of 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide?
3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 142888751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).