(3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

C16H21ClN2O3 — CID 124626266

IUPAC(3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N[C@@H](COC)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H21ClN2O3/c1-3-19-9-12(8-15(19)20)16(21)18-14(10-22-2)11-4-6-13(17)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3,(H,18,21)/t12-,14+/m1/s1
InChIKeyDVPQCKZZRJTNBX-OCCSQVGLSA-N
MW324.81 g/mol
LogP2.01
Rot. Bonds6

About (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

(3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 124626266) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID124626266
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name(3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1C[C@H](C(=O)N[C@@H](COC)c2ccc(Cl)cc2)CC1=O
InChIInChI=1S/C16H21ClN2O3/c1-3-19-9-12(8-15(19)20)16(21)18-14(10-22-2)11-4-6-13(17)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3,(H,18,21)/t12-,14+/m1/s1
InChIKeyDVPQCKZZRJTNBX-OCCSQVGLSA-N
XLogP2.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-ethyl-5-oxo-N-[(1R)-3,3,3-trifluoro-1-(4-fluorophenyl)propyl]pyrrolidine-3-carboxamide
CID 124515907
(3S)-N-[(1R)-1-(4-chlorophenyl)propyl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 35751451
(2S)-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820442
(3R)-1-benzyl-N-[(2R)-1-methoxybutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 95632586
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 119527204
(3S)-3-[[(3S)-1-ethyl-5-oxopyrrolidine-3-carbonyl]amino]-3-(2-methylphenyl)propanoic acid
CID 124683490
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
(3S)-1-butyl-N-[(2R)-1-methoxypropan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 9399021
N-[1-(4-chlorophenyl)propyl]-5-oxopyrrolidine-3-carboxamide
CID 78982260
(3S)-N-[(1R)-1,2-diphenylethyl]-1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 93017858
N-[2-(4-chlorophenyl)ethyl]-1-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 113182532
(3R)-N-[(1S)-1-(3-ethoxyphenyl)ethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95019921

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide (CID 124626266) is (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is CCN1C[C@H](C(=O)N[C@@H](COC)c2ccc(Cl)cc2)CC1=O.
What is the InChIKey of (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DVPQCKZZRJTNBX-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-3-19-9-12(8-15(19)20)16(21)18-14(10-22-2)11-4-6-13(17)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3,(H,18,21)/t12-,14+/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide?
(3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 124626266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).