2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride

C13H20ClN3O3 — CID 120986274

IUPAC2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)COC)cc1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-3-12(17)15-9-4-6-10(7-5-9)16-13(18)11(14)8-19-2;/h4-7,11H,3,8,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyOABVDDNUZCXKOC-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.37
Rot. Bonds6

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

2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride (PubChem CID 120986274) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
PubChem CID120986274
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
SMILESCCC(=O)Nc1ccc(NC(=O)C(N)COC)cc1.Cl
InChIInChI=1S/C13H19N3O3.ClH/c1-3-12(17)15-9-4-6-10(7-5-9)16-13(18)11(14)8-19-2;/h4-7,11H,3,8,14H2,1-2H3,(H,15,17)(H,16,18);1H
InChIKeyOABVDDNUZCXKOC-UHFFFAOYSA-N
XLogP1.37
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;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

2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
2-amino-N-(4-iodophenyl)-3-methoxypropanamide;hydrochloride
CID 120984756
2-amino-N-[4-[2-(ethylamino)-2-oxoethyl]phenyl]-3-methoxypropanamide
CID 81083287
2-amino-N-(4-tert-butylphenyl)-3-methoxypropanamide
CID 81081326
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
ethyl 4-[(2-amino-3-methoxypropanoyl)amino]benzoate
CID 81088417
(2R)-2-amino-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 119296177
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
methyl 2-[4-[(2-amino-3-methoxypropanoyl)amino]phenoxy]acetate
CID 81083437
2-amino-3-methoxy-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]propanamide;hydrochloride
CID 120989161
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
The IUPAC name of 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride (CID 120986274) is 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride is CCC(=O)Nc1ccc(NC(=O)C(N)COC)cc1.Cl.
What is the InChIKey of 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
The InChIKey is OABVDDNUZCXKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3.ClH/c1-3-12(17)15-9-4-6-10(7-5-9)16-13(18)11(14)8-19-2;/h4-7,11H,3,8,14H2,1-2H3,(H,15,17)(H,16,18);1H.
What are the key properties of 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride?
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride has a molecular weight of 301.77 g/mol, XLogP of 1.37, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride is sourced from PubChem (CID 120986274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).