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

C16H24ClN3O3 — CID 120588846

IUPAC4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14(10-17)9-15(20)18-11-12-4-2-5-13(8-12)19-7-3-6-16(19)21;/h2,4-5,8,14H,3,6-7,9-11,17H2,1H3,(H,18,20);1H
InChIKeyIUIIIELUENSGEH-UHFFFAOYSA-N
MW341.84 g/mol
LogP1.22
Rot. Bonds7

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

4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride (PubChem CID 120588846) has the molecular formula C16H24ClN3O3 and a molecular weight of 341.84 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
PubChem CID120588846
Molecular FormulaC16H24ClN3O3
Molecular Weight341.84 g/mol
Exact Mass341.15
IUPAC Name4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride
SMILESCOC(CN)CC(=O)NCc1cccc(N2CCCC2=O)c1.Cl
InChIInChI=1S/C16H23N3O3.ClH/c1-22-14(10-17)9-15(20)18-11-12-4-2-5-13(8-12)19-7-3-6-16(19)21;/h2,4-5,8,14H,3,6-7,9-11,17H2,1H3,(H,18,20);1H
InChIKeyIUIIIELUENSGEH-UHFFFAOYSA-N
XLogP1.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-amino-3-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 120587440
4-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]pentanamide;hydrochloride
CID 120560369
3,3-dimethyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 39004153
3-(2-aminophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide;hydrochloride
CID 120609078
3-acetamido-3-(4-bromophenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 112823926
2-(4-tert-butylphenoxy)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 39517699
2-amino-2-(4-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 120667367
4-(methoxymethyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120622513
1-[3-(ethylaminomethyl)phenyl]pyrrolidin-2-one
CID 63272633
3-(4-methoxy-3-methylphenyl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 100526543
2-amino-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-phenylpropanamide
CID 119289931
(2R)-2-methylsulfonyl-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 94249524

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride?
The IUPAC name of 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride (CID 120588846) is 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride.
What is the SMILES notation for 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride?
The canonical SMILES for 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride is COC(CN)CC(=O)NCc1cccc(N2CCCC2=O)c1.Cl.
What is the InChIKey of 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride?
The InChIKey is IUIIIELUENSGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3.ClH/c1-22-14(10-17)9-15(20)18-11-12-4-2-5-13(8-12)19-7-3-6-16(19)21;/h2,4-5,8,14H,3,6-7,9-11,17H2,1H3,(H,18,20);1H.
What are the key properties of 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride?
4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 1.22, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide;hydrochloride is sourced from PubChem (CID 120588846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).