N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride

C21H26ClN3O4 — CID 119616067

IUPACN-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NC(CN)C3CC3)cc2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-4-2-3-16(11-18)23-20(25)13-28-17-9-7-15(8-10-17)21(26)24-19(12-22)14-5-6-14;/h2-4,7-11,14,19H,5-6,12-13,22H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyNYXWPMYCWCIDIZ-UHFFFAOYSA-N
MW419.91 g/mol
LogP2.60
Rot. Bonds9

About N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride

N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride (PubChem CID 119616067) has the molecular formula C21H26ClN3O4 and a molecular weight of 419.91 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
PubChem CID119616067
Molecular FormulaC21H26ClN3O4
Molecular Weight419.91 g/mol
Exact Mass419.16
IUPAC NameN-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCOc1cccc(NC(=O)COc2ccc(C(=O)NC(CN)C3CC3)cc2)c1.Cl
InChIInChI=1S/C21H25N3O4.ClH/c1-27-18-4-2-3-16(11-18)23-20(25)13-28-17-9-7-15(8-10-17)21(26)24-19(12-22)14-5-6-14;/h2-4,7-11,14,19H,5-6,12-13,22H2,1H3,(H,23,25)(H,24,26);1H
InChIKeyNYXWPMYCWCIDIZ-UHFFFAOYSA-N
XLogP2.60
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1-adamantyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 5234660
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CID 16795321
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-pyrrolidin-3-ylbenzamide
CID 119452649
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(1R)-1-(2-methylphenyl)ethyl]benzamide
CID 41102959
2-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenoxy]-N-(3-methoxyphenyl)acetamide
CID 55343241
N-[3-(aminomethyl)pentan-3-yl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 119570884
[2-(cyclopentylamino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16539000
2-(4-tert-butylphenoxy)-N-(3-methoxyphenyl)acetamide
CID 710366
N-[1-(4-cyanophenyl)ethyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide
CID 55583010
N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 120945470
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 55589061
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-(2-phenoxyethyl)benzamide
CID 27758187

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride (CID 119616067) is N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride is COc1cccc(NC(=O)COc2ccc(C(=O)NC(CN)C3CC3)cc2)c1.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride?
The InChIKey is NYXWPMYCWCIDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4.ClH/c1-27-18-4-2-3-16(11-18)23-20(25)13-28-17-9-7-15(8-10-17)21(26)24-19(12-22)14-5-6-14;/h2-4,7-11,14,19H,5-6,12-13,22H2,1H3,(H,23,25)(H,24,26);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride has a molecular weight of 419.91 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride is sourced from PubChem (CID 119616067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).