3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide

C25H28N2O5 — CID 67556598

IUPAC3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H28N2O5/c1-16-6-5-7-17(12-16)15-27-23(28)14-20(25(27)30)26-24(29)18-10-11-21(31-2)22(13-18)32-19-8-3-4-9-19/h5-7,10-13,19-20H,3-4,8-9,14-15H2,1-2H3,(H,26,29)/t20-/m0/s1
InChIKeyJTIBVAIUQHMNFC-FQEVSTJZSA-N
MW436.51 g/mol
LogP3.38
Rot. Bonds7

About 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide

3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide (PubChem CID 67556598) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
PubChem CID67556598
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H28N2O5/c1-16-6-5-7-17(12-16)15-27-23(28)14-20(25(27)30)26-24(29)18-10-11-21(31-2)22(13-18)32-19-8-3-4-9-19/h5-7,10-13,19-20H,3-4,8-9,14-15H2,1-2H3,(H,26,29)/t20-/m0/s1
InChIKeyJTIBVAIUQHMNFC-FQEVSTJZSA-N
XLogP3.38
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide
CID 10255000
N-[1-(cyanomethyl)-2,5-dioxopyrrolidin-3-yl]-3-cyclopentyloxy-4-methoxybenzamide
CID 85102182
methyl 2-[(3S)-3-[(3-cyclopentyloxy-4-hydroxybenzoyl)amino]-2,5-dioxopyrrolidin-1-yl]acetate
CID 142869381
3-cyclopentyloxy-4-methoxy-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]benzamide
CID 10409183
2-[3-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]phenyl]acetic acid
CID 120530673
N-cyclooctyl-4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxamide
CID 4156781
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
N-(3-cyclopentyloxy-4-methoxyphenyl)-3-(pyrrolidin-1-ylmethyl)benzamide
CID 55985016
4-cyclopentyloxy-3-methoxy-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 55792742
N-[(3S)-1-benzyl-2-oxopyrrolidin-3-yl]-3-cyclopentyloxy-4-(difluoromethoxy)benzamide
CID 11744168
3-cyclobutyloxy-N-[2-(3,4-dimethoxyphenyl)cyclohexyl]-4-methoxybenzamide
CID 23117228
2-[(3-cyclopentyloxy-4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 120512153

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide (CID 67556598) is 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide is COc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?
The InChIKey is JTIBVAIUQHMNFC-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N2O5/c1-16-6-5-7-17(12-16)15-27-23(28)14-20(25(27)30)26-24(29)18-10-11-21(31-2)22(13-18)32-19-8-3-4-9-19/h5-7,10-13,19-20H,3-4,8-9,14-15H2,1-2H3,(H,26,29)/t20-/m0/s1.
What are the key properties of 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?
3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide has a molecular weight of 436.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 67556598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).