2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide

C17H30N2O3 — CID 131947635

IUPAC2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCCCCOCC(=O)N(C)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-3-4-9-22-13-17(21)18(2)11-14-10-16(20)19(12-14)15-7-5-6-8-15/h14-15H,3-13H2,1-2H3
InChIKeyZRPUVSIDTYVHKN-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.05
Rot. Bonds8

About 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide

2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide (PubChem CID 131947635) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
PubChem CID131947635
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide
SMILESCCCCOCC(=O)N(C)CC1CC(=O)N(C2CCCC2)C1
InChIInChI=1S/C17H30N2O3/c1-3-4-9-22-13-17(21)18(2)11-14-10-16(20)19(12-14)15-7-5-6-8-15/h14-15H,3-13H2,1-2H3
InChIKeyZRPUVSIDTYVHKN-UHFFFAOYSA-N
XLogP2.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-4-(difluoromethoxy)-N-methylbenzamide
CID 131910552
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 77097540
butyl 1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 113221179
1-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl]-1-methyl-3-(1-methylpyrazol-4-yl)urea
CID 125167246
1-cyclopentyl-4-[[methyl-[(E)-2-methylbut-2-enyl]amino]methyl]pyrrolidin-2-one
CID 50985024
N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N,2,6-trimethylpyrimidine-4-carboxamide
CID 50960371
1-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-1-methyl-3-(3,4,5-trifluorophenyl)urea
CID 72925137
5-[[(3S)-1-cyclopentyl-5-oxopyrrolidin-3-yl]methyl-methylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
CID 124757384
(4R)-1-cyclopentyl-4-(methylaminomethyl)pyrrolidin-2-one
CID 26722502
(3S)-N-butyl-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 7030805
(4R)-1-cyclohexyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259368
N-butyl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3236135

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide (CID 131947635) is 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide is CCCCOCC(=O)N(C)CC1CC(=O)N(C2CCCC2)C1.
What is the InChIKey of 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
The InChIKey is ZRPUVSIDTYVHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-3-4-9-22-13-17(21)18(2)11-14-10-16(20)19(12-14)15-7-5-6-8-15/h14-15H,3-13H2,1-2H3.
What are the key properties of 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide?
2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide has a molecular weight of 310.44 g/mol, XLogP of 2.05, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-[(1-cyclopentyl-5-oxopyrrolidin-3-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 131947635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).