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

C19H24ClN3O4 — CID 119527646

IUPAC3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC(N)c2ccccc2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C19H23N3O4.ClH/c1-12(23)22-16-9-14(10-17(25-2)18(16)26-3)19(24)21-11-15(20)13-7-5-4-6-8-13;/h4-10,15H,11,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyKLEQDIYGGOWOAM-UHFFFAOYSA-N
MW393.87 g/mol
LogP2.51
Rot. Bonds7

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

3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride (PubChem CID 119527646) has the molecular formula C19H24ClN3O4 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride
PubChem CID119527646
Molecular FormulaC19H24ClN3O4
Molecular Weight393.87 g/mol
Exact Mass393.15
IUPAC Name3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC(N)c2ccccc2)cc(NC(C)=O)c1OC.Cl
InChIInChI=1S/C19H23N3O4.ClH/c1-12(23)22-16-9-14(10-17(25-2)18(16)26-3)19(24)21-11-15(20)13-7-5-4-6-8-13;/h4-10,15H,11,20H2,1-3H3,(H,21,24)(H,22,23);1H
InChIKeyKLEQDIYGGOWOAM-UHFFFAOYSA-N
XLogP2.51
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-N-(2-amino-2-phenylethyl)-3,5-dimethoxybenzamide
CID 119527473
N-(2-amino-2-phenylethyl)-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119527394
N-(2-amino-2-phenylethyl)-3,4,5-triethoxybenzamide
CID 119527990
2-[(3-acetamido-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 119348890
3-chloro-4,5-dimethoxy-N-[(2R)-2-phenylpropyl]benzamide
CID 9301624
N-[2-(diethylamino)-2-phenylethyl]-3,4,5-trimethoxybenzamide
CID 16549388
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
N-(2-amino-2-phenylethyl)-3,4-dimethylbenzamide
CID 63120465
N-(2-benzylsulfanyl-2-phenylethyl)-3,4,5-trimethoxybenzamide
CID 17354185
(2S)-2-[(3-acetamido-4,5-dimethoxybenzoyl)amino]hexanoic acid
CID 120614500
3,4,5-trimethoxy-N-(3-phenylbutyl)benzamide
CID 110357561
N-(2-amino-2-phenylethyl)-4-butoxy-3-ethoxybenzamide;hydrochloride
CID 119528577

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride (CID 119527646) is 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride is COc1cc(C(=O)NCC(N)c2ccccc2)cc(NC(C)=O)c1OC.Cl.
What is the InChIKey of 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride?
The InChIKey is KLEQDIYGGOWOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4.ClH/c1-12(23)22-16-9-14(10-17(25-2)18(16)26-3)19(24)21-11-15(20)13-7-5-4-6-8-13;/h4-10,15H,11,20H2,1-3H3,(H,21,24)(H,22,23);1H.
What are the key properties of 3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride?
3-acetamido-N-(2-amino-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride has a molecular weight of 393.87 g/mol, XLogP of 2.51, 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-2-phenylethyl)-4,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119527646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).