(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

C19H28N2O4 — CID 95296556

IUPAC(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C(C)C)N2CCCC2=O)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-13(2)18(21-11-5-6-17(21)22)19(23)20-10-9-14-7-8-15(24-3)12-16(14)25-4/h7-8,12-13,18H,5-6,9-11H2,1-4H3,(H,20,23)/t18-/m1/s1
InChIKeyNOFVDIJDBVULIJ-GOSISDBHSA-N
MW348.44 g/mol
LogP2.01
Rot. Bonds8

About (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide

(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (PubChem CID 95296556) has the molecular formula C19H28N2O4 and a molecular weight of 348.44 g/mol. Its IUPAC name is (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
PubChem CID95296556
Molecular FormulaC19H28N2O4
Molecular Weight348.44 g/mol
Exact Mass348.20
IUPAC Name(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
SMILESCOc1ccc(CCNC(=O)[C@@H](C(C)C)N2CCCC2=O)c(OC)c1
InChIInChI=1S/C19H28N2O4/c1-13(2)18(21-11-5-6-17(21)22)19(23)20-10-9-14-7-8-15(24-3)12-16(14)25-4/h7-8,12-13,18H,5-6,9-11H2,1-4H3,(H,20,23)/t18-/m1/s1
InChIKeyNOFVDIJDBVULIJ-GOSISDBHSA-N
XLogP2.01
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 52515379
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 110911035
N-(3-hydroxy-4-methylpentyl)-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 111461395
1-[2-(2,4-dimethoxyphenyl)ethyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110408905
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-hydroxyacetamide
CID 94687467
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-pyrrolidin-1-ylbenzamide
CID 110615920
(2S)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052452
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-ethyl-5-fluoro-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915967
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(2-thiomorpholin-4-ylethyl)butanamide
CID 127311468
tert-butyl N-[1-[2-(2,4-dimethoxyphenyl)ethylamino]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110607072
3-[2-(2,4-dimethoxyphenyl)ethyl]-1,1-diethylurea
CID 110601497

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The IUPAC name of (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide (CID 95296556) is (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide.
What is the SMILES notation for (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The canonical SMILES for (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is COc1ccc(CCNC(=O)[C@@H](C(C)C)N2CCCC2=O)c(OC)c1.
What is the InChIKey of (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
The InChIKey is NOFVDIJDBVULIJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N2O4/c1-13(2)18(21-11-5-6-17(21)22)19(23)20-10-9-14-7-8-15(24-3)12-16(14)25-4/h7-8,12-13,18H,5-6,9-11H2,1-4H3,(H,20,23)/t18-/m1/s1.
What are the key properties of (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide?
(2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide has a molecular weight of 348.44 g/mol, XLogP of 2.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2,4-dimethoxyphenyl)ethyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide is sourced from PubChem (CID 95296556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).