(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C17H24N2O3 — CID 95019921

IUPAC(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC)C2)c1
InChIInChI=1S/C17H24N2O3/c1-4-19-11-14(10-16(19)20)17(21)18-12(3)13-7-6-8-15(9-13)22-5-2/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyJXMBMFHMXKZYQF-GXTWGEPZSA-N
MW304.39 g/mol
LogP2.13
Rot. Bonds6

About (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95019921) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95019921
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1cccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC)C2)c1
InChIInChI=1S/C17H24N2O3/c1-4-19-11-14(10-16(19)20)17(21)18-12(3)13-7-6-8-15(9-13)22-5-2/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,18,21)/t12-,14+/m0/s1
InChIKeyJXMBMFHMXKZYQF-GXTWGEPZSA-N
XLogP2.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(3-ethoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673043
1-(4-ethoxyphenyl)-5-oxo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 18270743
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55715320
(3R)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124729681
(3S)-1-ethyl-N-[(1R)-1-(2-methylsulfanylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 124729680
N-[1-(3-ethoxyphenyl)ethyl]piperidine-3-carboxamide
CID 119301559
trans-(1S,2S)-2-[[(1S)-1-(3-ethoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132003
1-(2-methylpropyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113182040
1-(3-methylbutyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 113185589
N-[(1R)-1-(3-ethoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 94813101
cis-(1S,3R)-3-[1-(3-ethoxyphenyl)ethylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065439
2-acetamido-N-[1-(3-ethoxyphenyl)ethyl]acetamide
CID 75418201

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 95019921) is (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCOc1cccc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC)C2)c1.
What is the InChIKey of (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JXMBMFHMXKZYQF-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-4-19-11-14(10-16(19)20)17(21)18-12(3)13-7-6-8-15(9-13)22-5-2/h6-9,12,14H,4-5,10-11H2,1-3H3,(H,18,21)/t12-,14+/m0/s1.
What are the key properties of (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95019921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).