2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

C15H22ClN3O4 — CID 120985846

IUPAC2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-21-9-11(16)15(20)17-10-5-6-13(22-2)12(8-10)18-7-3-4-14(18)19;/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,20);1H
InChIKeyAMCUQKUYLHVAHJ-UHFFFAOYSA-N
MW343.81 g/mol
LogP1.16
Rot. Bonds6

About 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride

2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (PubChem CID 120985846) has the molecular formula C15H22ClN3O4 and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
PubChem CID120985846
Molecular FormulaC15H22ClN3O4
Molecular Weight343.81 g/mol
Exact Mass343.13
IUPAC Name2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1.Cl
InChIInChI=1S/C15H21N3O4.ClH/c1-21-9-11(16)15(20)17-10-5-6-13(22-2)12(8-10)18-7-3-4-14(18)19;/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,20);1H
InChIKeyAMCUQKUYLHVAHJ-UHFFFAOYSA-N
XLogP1.16
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methoxypropanamide
CID 120989674
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
2-amino-3-methoxy-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 81088851
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
ethyl N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]carbamate
CID 7687938
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-3-methylpentanamide
CID 119699423
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-2-methylpentanamide;hydrochloride
CID 119724605
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55657173
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666903

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride (CID 120985846) is 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is COCC(N)C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
The InChIKey is AMCUQKUYLHVAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4.ClH/c1-21-9-11(16)15(20)17-10-5-6-13(22-2)12(8-10)18-7-3-4-14(18)19;/h5-6,8,11H,3-4,7,9,16H2,1-2H3,(H,17,20);1H.
What are the key properties of 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride has a molecular weight of 343.81 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120985846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).