2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide

C25H32N4O5 — CID 69349989

IUPAC2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)NCCCC(=O)c3ncc[nH]3)C2)cc1OC1CCCC1
InChIInChI=1S/C25H32N4O5/c1-33-21-9-8-17(13-22(21)34-19-5-2-3-6-19)18-14-24(32)29(15-18)16-23(31)26-10-4-7-20(30)25-27-11-12-28-25/h8-9,11-13,18-19H,2-7,10,14-16H2,1H3,(H,26,31)(H,27,28)
InChIKeyHLPCVQMLXILFRR-UHFFFAOYSA-N
MW468.55 g/mol
LogP2.83
Rot. Bonds11

About 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide

2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide (PubChem CID 69349989) has the molecular formula C25H32N4O5 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide
PubChem CID69349989
Molecular FormulaC25H32N4O5
Molecular Weight468.55 g/mol
Exact Mass468.24
IUPAC Name2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide
SMILESCOc1ccc(C2CC(=O)N(CC(=O)NCCCC(=O)c3ncc[nH]3)C2)cc1OC1CCCC1
InChIInChI=1S/C25H32N4O5/c1-33-21-9-8-17(13-22(21)34-19-5-2-3-6-19)18-14-24(32)29(15-18)16-23(31)26-10-4-7-20(30)25-27-11-12-28-25/h8-9,11-13,18-19H,2-7,10,14-16H2,1H3,(H,26,31)(H,27,28)
InChIKeyHLPCVQMLXILFRR-UHFFFAOYSA-N
XLogP2.83
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]acetamide
CID 68684528
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetyl chloride
CID 23614685
N-(6-amino-2-pyridinyl)-2-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetamide
CID 10295932
1-butyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 23614663
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-methylpyrrolidin-2-one
CID 53237242
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)pyrrolidin-2-one
CID 54134810
3-cyclopentyloxy-N-(1H-imidazol-2-ylmethyl)-4-methoxybenzamide
CID 75520735
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2-methylphenyl)methyl]pyrrolidin-2-one
CID 10271091
4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(4-diethoxyphosphorylbut-2-enyl)pyrrolidin-2-one
CID 72568143
(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(3-fluorophenyl)methyl]pyrrolidin-2-one
CID 10293339
(4S)-1-[(3-chlorophenyl)methyl]-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one
CID 10200965
(4S)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-one
CID 10111656

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide?
The IUPAC name of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide (CID 69349989) is 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide.
What is the SMILES notation for 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide?
The canonical SMILES for 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide is COc1ccc(C2CC(=O)N(CC(=O)NCCCC(=O)c3ncc[nH]3)C2)cc1OC1CCCC1.
What is the InChIKey of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide?
The InChIKey is HLPCVQMLXILFRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O5/c1-33-21-9-8-17(13-22(21)34-19-5-2-3-6-19)18-14-24(32)29(15-18)16-23(31)26-10-4-7-20(30)25-27-11-12-28-25/h8-9,11-13,18-19H,2-7,10,14-16H2,1H3,(H,26,31)(H,27,28).
What are the key properties of 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide?
2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide has a molecular weight of 468.55 g/mol, XLogP of 2.83, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]-N-[4-(1H-imidazol-2-yl)-4-oxobutyl]acetamide is sourced from PubChem (CID 69349989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).