N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride

C14H21Cl2N3O4 — CID 119629178

IUPACN-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC(C)(C)N)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C14H20ClN3O4.ClH/c1-14(2,17)7-18-13(20)8-4-9(15)12(10(5-8)21-3)22-6-11(16)19;/h4-5H,6-7,17H2,1-3H3,(H2,16,19)(H,18,20);1H
InChIKeyATIYJJAIEQIKGJ-UHFFFAOYSA-N
MW366.25 g/mol
LogP1.10
Rot. Bonds7

About N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride

N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride (PubChem CID 119629178) has the molecular formula C14H21Cl2N3O4 and a molecular weight of 366.25 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
PubChem CID119629178
Molecular FormulaC14H21Cl2N3O4
Molecular Weight366.25 g/mol
Exact Mass365.09
IUPAC NameN-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
SMILESCOc1cc(C(=O)NCC(C)(C)N)cc(Cl)c1OCC(N)=O.Cl
InChIInChI=1S/C14H20ClN3O4.ClH/c1-14(2,17)7-18-13(20)8-4-9(15)12(10(5-8)21-3)22-6-11(16)19;/h4-5H,6-7,17H2,1-3H3,(H2,16,19)(H,18,20);1H
InChIKeyATIYJJAIEQIKGJ-UHFFFAOYSA-N
XLogP1.10
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(ethylamino)ethyl]-5-methoxybenzamide;hydrochloride
CID 119508033
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 51310672
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-5-methoxybenzamide
CID 119139147
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
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4-(2-amino-2-oxoethoxy)-3-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-5-methoxybenzamide
CID 55724832
N-(4-aminocyclohexyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119477661
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[4-(propylcarbamoyl)phenyl]benzamide
CID 55893304
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[2-(2-nitroanilino)ethyl]benzamide
CID 16961898
4-(2-amino-2-oxoethoxy)-3-chloro-N-[(4-fluoro-3-methylphenyl)methyl]-5-methoxybenzamide
CID 18138817
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536726
prop-2-ynyl 4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoate
CID 47139600
(2S,3S)-2-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]-3-methylpentanoic acid
CID 119193825

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride (CID 119629178) is N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride is COc1cc(C(=O)NCC(C)(C)N)cc(Cl)c1OCC(N)=O.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
The InChIKey is ATIYJJAIEQIKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O4.ClH/c1-14(2,17)7-18-13(20)8-4-9(15)12(10(5-8)21-3)22-6-11(16)19;/h4-5H,6-7,17H2,1-3H3,(H2,16,19)(H,18,20);1H.
What are the key properties of N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride?
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride has a molecular weight of 366.25 g/mol, XLogP of 1.10, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride is sourced from PubChem (CID 119629178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).