(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

C21H30N2O3 — CID 124866664

IUPAC(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC[C@H](C(=O)NCCO[C@@H]3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-15-7-9-17(10-8-15)23-13-11-18(21(23)25)20(24)22-12-14-26-19-6-4-3-5-16(19)2/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,22,24)/t16-,18-,19-/m1/s1
InChIKeyFFCWRVVKMTZFJP-BHIYHBOVSA-N
MW358.48 g/mol
LogP3.06
Rot. Bonds6

About (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide

(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (PubChem CID 124866664) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
PubChem CID124866664
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(N2CC[C@H](C(=O)NCCO[C@@H]3CCCC[C@H]3C)C2=O)cc1
InChIInChI=1S/C21H30N2O3/c1-15-7-9-17(10-8-15)23-13-11-18(21(23)25)20(24)22-12-14-26-19-6-4-3-5-16(19)2/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,22,24)/t16-,18-,19-/m1/s1
InChIKeyFFCWRVVKMTZFJP-BHIYHBOVSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-fluorophenyl)-N-[2-(4-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 95056114
(3R)-N-(2-methoxyethyl)-2-oxo-1-phenylpyrrolidine-3-carboxamide
CID 92750576
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
(3R)-1-(4-ethylphenyl)-N-(2-methoxyethyl)-2-oxopyrrolidine-3-carboxamide
CID 92725773
1-(4-methylphenyl)-2-oxo-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 60566003
1-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 50797712
(3R)-1-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331110
2-methoxy-5-[[[(3S)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 125153572
1-(4-ethylphenyl)-N-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 50797683
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60565736
1-(4-ethylphenyl)-2-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 20964236
N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 60566031

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide (CID 124866664) is (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is Cc1ccc(N2CC[C@H](C(=O)NCCO[C@@H]3CCCC[C@H]3C)C2=O)cc1.
What is the InChIKey of (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
The InChIKey is FFCWRVVKMTZFJP-BHIYHBOVSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15-7-9-17(10-8-15)23-13-11-18(21(23)25)20(24)22-12-14-26-19-6-4-3-5-16(19)2/h7-10,16,18-19H,3-6,11-14H2,1-2H3,(H,22,24)/t16-,18-,19-/m1/s1.
What are the key properties of (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide?
(3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide has a molecular weight of 358.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124866664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).