3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide

C25H25F3N2O5 — CID 10255000

IUPAC3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H25F3N2O5/c1-34-20-11-8-16(12-21(20)35-18-4-2-3-5-18)23(32)29-19-13-22(31)30(24(19)33)14-15-6-9-17(10-7-15)25(26,27)28/h6-12,18-19H,2-5,13-14H2,1H3,(H,29,32)/t19-/m0/s1
InChIKeyDGGYAMZTNVHJLU-IBGZPJMESA-N
MW490.48 g/mol
LogP4.09
Rot. Bonds7

About 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide

3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide (PubChem CID 10255000) has the molecular formula C25H25F3N2O5 and a molecular weight of 490.48 g/mol. Its IUPAC name is 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide
PubChem CID10255000
Molecular FormulaC25H25F3N2O5
Molecular Weight490.48 g/mol
Exact Mass490.17
IUPAC Name3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1OC1CCCC1
InChIInChI=1S/C25H25F3N2O5/c1-34-20-11-8-16(12-21(20)35-18-4-2-3-5-18)23(32)29-19-13-22(31)30(24(19)33)14-15-6-9-17(10-7-15)25(26,27)28/h6-12,18-19H,2-5,13-14H2,1H3,(H,29,32)/t19-/m0/s1
InChIKeyDGGYAMZTNVHJLU-IBGZPJMESA-N
XLogP4.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.48
LogP ≤ 54.09
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-4-methoxy-N-[(3S)-1-[(3-methylphenyl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
CID 67556598
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
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 10364767
3-cyclopentyloxy-4-methoxy-N-[(3S)-5-oxopyrrolidin-3-yl]benzamide
CID 10313807
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558608
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
1-(3-cyclopentyloxy-4-methoxyphenyl)-3-methylbutan-1-one
CID 19892499
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide?
The IUPAC name of 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide (CID 10255000) is 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide.
What is the SMILES notation for 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide?
The canonical SMILES for 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide is COc1ccc(C(=O)N[C@H]2CC(=O)N(Cc3ccc(C(F)(F)F)cc3)C2=O)cc1OC1CCCC1.
What is the InChIKey of 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide?
The InChIKey is DGGYAMZTNVHJLU-IBGZPJMESA-N. The full InChI is InChI=1S/C25H25F3N2O5/c1-34-20-11-8-16(12-21(20)35-18-4-2-3-5-18)23(32)29-19-13-22(31)30(24(19)33)14-15-6-9-17(10-7-15)25(26,27)28/h6-12,18-19H,2-5,13-14H2,1H3,(H,29,32)/t19-/m0/s1.
What are the key properties of 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide?
3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide has a molecular weight of 490.48 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyloxy-N-[(3S)-2,5-dioxo-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzamide is sourced from PubChem (CID 10255000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).