2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride

C19H24ClN3O4 — CID 120586763

IUPAC2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C19H23N3O4.ClH/c1-25-14-7-5-6-13(10-14)21-19(24)16-8-3-4-9-17(16)22-18(23)11-15(12-20)26-2;/h3-10,15H,11-12,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyPBBVTSJEVRXPFK-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.67
Rot. Bonds8

About 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride

2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride (PubChem CID 120586763) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
PubChem CID120586763
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)c2ccccc2NC(=O)CC(CN)OC)c1.Cl
InChIInChI=1S/C19H23N3O4.ClH/c1-25-14-7-5-6-13(10-14)21-19(24)16-8-3-4-9-17(16)22-18(23)11-15(12-20)26-2;/h3-10,15H,11-12,20H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyPBBVTSJEVRXPFK-UHFFFAOYSA-N
XLogP2.67
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-amino-3-methoxybutanoyl)amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120586728
4-amino-3-methoxy-N-(3-methoxyphenyl)butanamide;hydrochloride
CID 120586371
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
2-[[2-(2-fluorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 2516706
2-[[2-(4-chlorophenyl)acetyl]amino]-N-(3-methoxyphenyl)benzamide
CID 29263476
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetyl]amino]-N-phenylbenzamide
CID 2521413
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 51154926
N-(3-methoxyphenyl)-2-[(2-thiophen-3-ylacetyl)amino]benzamide
CID 4787980
2-[(4-amino-3-methoxybutanoyl)amino]-5-methoxy-N-methylbenzamide
CID 120591327
2-[[2-(3-methoxyanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 55355003
4-amino-N-[3-[(4-fluorophenyl)methoxy]phenyl]-3-methoxybutanamide
CID 120588341

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride?
The IUPAC name of 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride (CID 120586763) is 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride?
The canonical SMILES for 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride is COc1cccc(NC(=O)c2ccccc2NC(=O)CC(CN)OC)c1.Cl.
What is the InChIKey of 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride?
The InChIKey is PBBVTSJEVRXPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4.ClH/c1-25-14-7-5-6-13(10-14)21-19(24)16-8-3-4-9-17(16)22-18(23)11-15(12-20)26-2;/h3-10,15H,11-12,20H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride?
2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 2.67, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methoxybutanoyl)amino]-N-(3-methoxyphenyl)benzamide;hydrochloride is sourced from PubChem (CID 120586763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).