3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride

C16H24ClN3O4 — CID 119613286

IUPAC3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(CN)C2CC2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-9(20)18-12-6-11(7-14(22-2)15(12)23-3)16(21)19-13(8-17)10-4-5-10;/h6-7,10,13H,4-5,8,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyVVFKBQOVZOSTJP-UHFFFAOYSA-N
MW357.84 g/mol
LogP1.55
Rot. Bonds7

About 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride

3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride (PubChem CID 119613286) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
PubChem CID119613286
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC Name3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NC(CN)C2CC2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-9(20)18-12-6-11(7-14(22-2)15(12)23-3)16(21)19-13(8-17)10-4-5-10;/h6-7,10,13H,4-5,8,17H2,1-3H3,(H,18,20)(H,19,21);1H
InChIKeyVVFKBQOVZOSTJP-UHFFFAOYSA-N
XLogP1.55
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetamido-N-(2-amino-1-cyclohexylethyl)-4,5-dimethoxybenzamide
CID 119589329
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclopropylethyl)-3-bromo-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119614778
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119616315
N-(2-amino-1-cyclopropylethyl)-3,4,5-triethoxybenzamide;hydrochloride
CID 119614010
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4-fluorobenzamide
CID 119614425
2-[(3-acetamido-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 119348890
N-(2-amino-1-cyclohexylethyl)-3-methoxy-4-methylbenzamide
CID 81485984
N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119613742
N-(2-amino-1-cyclohexylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119591423
N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
CID 106737408
3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119527646

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride (CID 119613286) is 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride is COc1cc(C(=O)NC(CN)C2CC2)cc(NC(C)=O)c1OC.Cl.
What is the InChIKey of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride?
The InChIKey is VVFKBQOVZOSTJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-9(20)18-12-6-11(7-14(22-2)15(12)23-3)16(21)19-13(8-17)10-4-5-10;/h6-7,10,13H,4-5,8,17H2,1-3H3,(H,18,20)(H,19,21);1H.
What are the key properties of 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride?
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119613286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).