1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C20H31N3O4 — CID 120652533

IUPAC1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C20H31N3O4/c1-5-21-14(2)12-22-20(25)16-11-19(24)23(13-16)9-8-15-6-7-17(26-3)18(10-15)27-4/h6-7,10,14,16,21H,5,8-9,11-13H2,1-4H3,(H,22,25)/t14-,16?/m1/s1
InChIKeyCMMIJRCBQUCYHP-IURRXHLWSA-N
MW377.49 g/mol
LogP1.21
Rot. Bonds10

About 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 120652533) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID120652533
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Name1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1
InChIInChI=1S/C20H31N3O4/c1-5-21-14(2)12-22-20(25)16-11-19(24)23(13-16)9-8-15-6-7-17(26-3)18(10-15)27-4/h6-7,10,14,16,21H,5,8-9,11-13H2,1-4H3,(H,22,25)/t14-,16?/m1/s1
InChIKeyCMMIJRCBQUCYHP-IURRXHLWSA-N
XLogP1.21
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 51154053
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 43011850
N-[(2S)-1-aminopropan-2-yl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 120505511
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-hexyl-5-oxopyrrolidine-3-carboxamide
CID 43008531
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(dimethylamino)-2-phenylethyl]-5-oxopyrrolidine-3-carboxamide
CID 4787589
(3R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxamide
CID 51405841
(3R)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279695
(3S)-N-[(4-chlorophenyl)methyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 34279688
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42990212
(3R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 99995137
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 4963915
N-[(3,4-dimethoxyphenyl)methyl]-5-oxo-1-propylpyrrolidine-3-carboxamide
CID 113181947

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 120652533) is 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CCN[C@H](C)CNC(=O)C1CC(=O)N(CCc2ccc(OC)c(OC)c2)C1.
What is the InChIKey of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CMMIJRCBQUCYHP-IURRXHLWSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-5-21-14(2)12-22-20(25)16-11-19(24)23(13-16)9-8-15-6-7-17(26-3)18(10-15)27-4/h6-7,10,14,16,21H,5,8-9,11-13H2,1-4H3,(H,22,25)/t14-,16?/m1/s1.
What are the key properties of 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 1.21, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120652533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).