(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide

C21H30N2O3 — CID 97116300

IUPAC(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(OCCCN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C21H30N2O3/c1-16-7-5-10-19(13-16)26-12-6-11-22(2)21(25)17-14-20(24)23(15-17)18-8-3-4-9-18/h5,7,10,13,17-18H,3-4,6,8-9,11-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyNCPUGYIDXGHNAH-QGZVFWFLSA-N
MW358.48 g/mol
LogP3.01
Rot. Bonds7

About (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 97116300) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID97116300
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(OCCCN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1
InChIInChI=1S/C21H30N2O3/c1-16-7-5-10-19(13-16)26-12-6-11-22(2)21(25)17-14-20(24)23(15-17)18-8-3-4-9-18/h5,7,10,13,17-18H,3-4,6,8-9,11-12,14-15H2,1-2H3/t17-/m1/s1
InChIKeyNCPUGYIDXGHNAH-QGZVFWFLSA-N
XLogP3.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.01
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

1-cycloheptyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]-6-oxopiperidine-3-carboxamide
CID 45178689
1-cyclopentyl-N-methyl-N-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 46654933
N-(2-cyanoethyl)-1-cyclopentyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 51074163
1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 70741608
(3R)-1-cyclopentyl-N-methyl-N-[3-(1-methylpyrazol-4-yl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 97129425
1-(2,5-dimethoxyphenyl)-N-methyl-5-oxo-N-(3-phenoxypropyl)pyrrolidine-3-carboxamide
CID 55654265
(4S)-N,1-dimethyl-2-oxo-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 94168581
1-cyclohexyl-4-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17005386
3-N-methyl-3-N-[3-(4-methylphenoxy)propyl]piperidine-1,3-dicarboxamide
CID 70730280
1-cyclopentyl-N-[4-[2-(dimethylamino)ethoxy]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 87006886
1-cyclopentyl-N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46563457
N-methyl-N-[2-(3-methylphenoxy)ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78869844

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide (CID 97116300) is (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide is Cc1cccc(OCCCN(C)C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1.
What is the InChIKey of (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NCPUGYIDXGHNAH-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-16-7-5-10-19(13-16)26-12-6-11-22(2)21(25)17-14-20(24)23(15-17)18-8-3-4-9-18/h5,7,10,13,17-18H,3-4,6,8-9,11-12,14-15H2,1-2H3/t17-/m1/s1.
What are the key properties of (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-N-methyl-N-[3-(3-methylphenoxy)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 97116300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).