N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride

C20H24ClN3O3 — CID 119617488

IUPACN-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-15-10-8-14(9-11-15)19(24)22-17-5-3-2-4-16(17)20(25)23-18(12-21)13-6-7-13;/h2-5,8-11,13,18H,6-7,12,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyWJQKDRSOPHSLNE-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.84
Rot. Bonds7

About N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride (PubChem CID 119617488) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride
PubChem CID119617488
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride
SMILESCOc1ccc(C(=O)Nc2ccccc2C(=O)NC(CN)C2CC2)cc1.Cl
InChIInChI=1S/C20H23N3O3.ClH/c1-26-15-10-8-14(9-11-15)19(24)22-17-5-3-2-4-16(17)20(25)23-18(12-21)13-6-7-13;/h2-5,8-11,13,18H,6-7,12,21H2,1H3,(H,22,24)(H,23,25);1H
InChIKeyWJQKDRSOPHSLNE-UHFFFAOYSA-N
XLogP2.84
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-methoxybenzamide
CID 65188794
N-(2-amino-1-cyclopropylethyl)-2,4-dimethoxybenzamide;hydrochloride
CID 119614737
2-[2-[(4-methoxybenzoyl)amino]phenyl]-2-oxoacetic acid
CID 102378800
N-(2-acetylphenyl)-4-methoxybenzamide
CID 3509429
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-2-[(4-methoxybenzoyl)amino]benzamide
CID 33275819
2-[(4-methoxybenzoyl)amino]-N-[(2S)-1-[2-(4-methoxybenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 27442036
2-[(4-methoxybenzoyl)amino]benzoic acid
CID 721421
N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 119616067
N-(2-amino-1-cyclopropylethyl)-2-methylsulfanylbenzamide;hydrochloride
CID 119614072
(2R,3S)-2-[[2-[(4-methoxybenzoyl)amino]benzoyl]amino]-3-methylpentanoate
CID 7392970
N-(2-amino-1-cyclopropylethyl)naphthalene-1-carboxamide
CID 65188485
N-(2-amino-1-cyclopropylethyl)-2-ethoxybenzamide;hydrochloride
CID 119616625

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride (CID 119617488) is N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride is COc1ccc(C(=O)Nc2ccccc2C(=O)NC(CN)C2CC2)cc1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride?
The InChIKey is WJQKDRSOPHSLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c1-26-15-10-8-14(9-11-15)19(24)22-17-5-3-2-4-16(17)20(25)23-18(12-21)13-6-7-13;/h2-5,8-11,13,18H,6-7,12,21H2,1H3,(H,22,24)(H,23,25);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.84, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-[(4-methoxybenzoyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119617488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).