N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride

C12H18ClN3O3 — CID 120983461

IUPACN-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-8(16)14-9-4-3-5-10(6-9)15-12(17)11(13)7-18-2;/h3-6,11H,7,13H2,1-2H3,(H,14,16)(H,15,17);1H
InChIKeyLRVROZNSGFUZFH-UHFFFAOYSA-N
MW287.75 g/mol
LogP0.98
Rot. Bonds5

About N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride

N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride (PubChem CID 120983461) has the molecular formula C12H18ClN3O3 and a molecular weight of 287.75 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
PubChem CID120983461
Molecular FormulaC12H18ClN3O3
Molecular Weight287.75 g/mol
Exact Mass287.10
IUPAC NameN-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride
SMILESCOCC(N)C(=O)Nc1cccc(NC(C)=O)c1.Cl
InChIInChI=1S/C12H17N3O3.ClH/c1-8(16)14-9-4-3-5-10(6-9)15-12(17)11(13)7-18-2;/h3-6,11H,7,13H2,1-2H3,(H,14,16)(H,15,17);1H
InChIKeyLRVROZNSGFUZFH-UHFFFAOYSA-N
XLogP0.98
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-N-[3-(2-methoxypropanoylamino)phenyl]propanamide;hydrochloride
CID 120987592
2-amino-N-[3-(methanesulfonamido)phenyl]-3-methoxypropanamide
CID 81088623
3-[(2-amino-3-methoxypropanoyl)amino]benzoic acid
CID 81088494
N-(3-acetamidophenyl)-2-aminobutanediamide
CID 60847053
2-amino-3-methoxy-N-[3-(propan-2-yloxymethyl)phenyl]propanamide
CID 120987551
(2S)-N-(3-acetamidophenyl)-2-amino-3-phenylpropanamide
CID 22691247
2-amino-N-(3,4-dimethylphenyl)-3-methoxypropanamide
CID 81081537
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methoxypropanamide;hydrochloride
CID 120983933
N-(3-acetamidophenyl)-2-aminohexanamide
CID 60852572
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
2-amino-3-methoxy-N-[3-[(4-methoxyphenyl)methoxymethyl]phenyl]propanamide;hydrochloride
CID 120987747

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride?
The IUPAC name of N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride (CID 120983461) is N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride.
What is the SMILES notation for N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride?
The canonical SMILES for N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride is COCC(N)C(=O)Nc1cccc(NC(C)=O)c1.Cl.
What is the InChIKey of N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride?
The InChIKey is LRVROZNSGFUZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3.ClH/c1-8(16)14-9-4-3-5-10(6-9)15-12(17)11(13)7-18-2;/h3-6,11H,7,13H2,1-2H3,(H,14,16)(H,15,17);1H.
What are the key properties of N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride?
N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 0.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-amino-3-methoxypropanamide;hydrochloride is sourced from PubChem (CID 120983461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).