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

C16H24ClN3O4 — CID 119613742

IUPACN-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCNC(=O)COc1ccc(C(=O)NC(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-18-15(20)9-23-13-6-5-11(7-14(13)22-2)16(21)19-12(8-17)10-3-4-10;/h5-7,10,12H,3-4,8-9,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeySJSAKPFVBVWZEN-UHFFFAOYSA-N
MW357.84 g/mol
LogP0.71
Rot. Bonds8

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

N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride (PubChem CID 119613742) has the molecular formula C16H24ClN3O4 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
PubChem CID119613742
Molecular FormulaC16H24ClN3O4
Molecular Weight357.84 g/mol
Exact Mass357.15
IUPAC NameN-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
SMILESCNC(=O)COc1ccc(C(=O)NC(CN)C2CC2)cc1OC.Cl
InChIInChI=1S/C16H23N3O4.ClH/c1-18-15(20)9-23-13-6-5-11(7-14(13)22-2)16(21)19-12(8-17)10-3-4-10;/h5-7,10,12H,3-4,8-9,17H2,1-2H3,(H,18,20)(H,19,21);1H
InChIKeySJSAKPFVBVWZEN-UHFFFAOYSA-N
XLogP0.71
TPSA102.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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N-(2-amino-1-cyclopentylethyl)-3-bromo-4-methoxybenzamide
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N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
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N-[(2S)-1-aminopropan-2-yl]-3-methoxy-4-[2-oxo-2-(propan-2-ylamino)ethoxy]benzamide
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N-(2-amino-1-cyclohexylethyl)-4-methoxy-3-nitrobenzamide;hydrochloride
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N-(2-amino-1-cyclopropylethyl)-4-[2-(3-methoxyanilino)-2-oxoethoxy]benzamide;hydrochloride
CID 119616067
3-acetamido-N-(2-amino-1-cyclopropylethyl)-4,5-dimethoxybenzamide;hydrochloride
CID 119613286
N-(1-amino-2,4-dimethylpentan-2-yl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride
CID 119598009
2-(5-acetyl-2-methoxyphenyl)-N-(2-amino-1-cyclopropylethyl)acetamide
CID 119612751
N-(2-amino-1-cyclopropylethyl)-3-fluoro-4-methylbenzamide;hydrochloride
CID 119614951
N-(2-amino-1-cyclopropylethyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 119616315

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride (CID 119613742) is N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride is CNC(=O)COc1ccc(C(=O)NC(CN)C2CC2)cc1OC.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
The InChIKey is SJSAKPFVBVWZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4.ClH/c1-18-15(20)9-23-13-6-5-11(7-14(13)22-2)16(21)19-12(8-17)10-3-4-10;/h5-7,10,12H,3-4,8-9,17H2,1-2H3,(H,18,20)(H,19,21);1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride?
N-(2-amino-1-cyclopropylethyl)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride has a molecular weight of 357.84 g/mol, XLogP of 0.71, 8 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)-3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzamide;hydrochloride is sourced from PubChem (CID 119613742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).