4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide

C14H20ClN3O2 — CID 120595674

IUPAC4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C14H20ClN3O2/c1-20-11(8-16)7-14(19)18-13-6-9(15)2-5-12(13)17-10-3-4-10/h2,5-6,10-11,17H,3-4,7-8,16H2,1H3,(H,18,19)
InChIKeyUUBKYFUHKXQNCH-UHFFFAOYSA-N
MW297.79 g/mol
LogP2.22
Rot. Bonds7

About 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide

4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide (PubChem CID 120595674) has the molecular formula C14H20ClN3O2 and a molecular weight of 297.79 g/mol. Its IUPAC name is 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide
PubChem CID120595674
Molecular FormulaC14H20ClN3O2
Molecular Weight297.79 g/mol
Exact Mass297.12
IUPAC Name4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)Nc1cc(Cl)ccc1NC1CC1
InChIInChI=1S/C14H20ClN3O2/c1-20-11(8-16)7-14(19)18-13-6-9(15)2-5-12(13)17-10-3-4-10/h2,5-6,10-11,17H,3-4,7-8,16H2,1H3,(H,18,19)
InChIKeyUUBKYFUHKXQNCH-UHFFFAOYSA-N
XLogP2.22
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide 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-N-(4-chloro-2-methylphenyl)-3-methoxybutanamide
CID 103154240
3-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]propanamide
CID 119856759
4-amino-3-methoxy-N-[2-[(1-methylpiperidin-4-yl)amino]phenyl]butanamide
CID 120596280
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-methoxybutanamide
CID 120589868
4-amino-N-(5-chloro-2-pyrazol-1-ylphenyl)-3-methoxybutanamide
CID 103154914
4-amino-N-(3-chlorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586386
4-amino-N-(4-chloro-2-fluorophenyl)-3-ethoxybutanamide
CID 114227336
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-3-methoxybutanamide;hydrochloride
CID 120586930
4-amino-3-methoxy-N-(2,4,5-trimethoxyphenyl)butanamide
CID 120593617
4-amino-N-(4-bromo-2-fluorophenyl)-3-methoxybutanamide;hydrochloride
CID 120586484
4-amino-3-methoxy-N-(2,4,5-trifluorophenyl)butanamide;hydrochloride
CID 120588070
4-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-methoxybutanamide;hydrochloride
CID 120586582

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide (CID 120595674) is 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide is COC(CN)CC(=O)Nc1cc(Cl)ccc1NC1CC1.
What is the InChIKey of 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide?
The InChIKey is UUBKYFUHKXQNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O2/c1-20-11(8-16)7-14(19)18-13-6-9(15)2-5-12(13)17-10-3-4-10/h2,5-6,10-11,17H,3-4,7-8,16H2,1H3,(H,18,19).
What are the key properties of 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide?
4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide has a molecular weight of 297.79 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-chloro-2-(cyclopropylamino)phenyl]-3-methoxybutanamide is sourced from PubChem (CID 120595674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).