5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride

C13H20ClN3O2 — CID 120617672

IUPAC5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CC(N)=O)C(C)C.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-8(2)16(7-12(15)17)13(18)11-6-10(14)5-4-9(11)3;/h4-6,8H,7,14H2,1-3H3,(H2,15,17);1H
InChIKeySKLRGDDQQFWYOE-UHFFFAOYSA-N
MW285.78 g/mol
LogP1.33
Rot. Bonds4

About 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride

5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride (PubChem CID 120617672) has the molecular formula C13H20ClN3O2 and a molecular weight of 285.78 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
PubChem CID120617672
Molecular FormulaC13H20ClN3O2
Molecular Weight285.78 g/mol
Exact Mass285.12
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)N(CC(N)=O)C(C)C.Cl
InChIInChI=1S/C13H19N3O2.ClH/c1-8(2)16(7-12(15)17)13(18)11-6-10(14)5-4-9(11)3;/h4-6,8H,7,14H2,1-3H3,(H2,15,17);1H
InChIKeySKLRGDDQQFWYOE-UHFFFAOYSA-N
XLogP1.33
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-4-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 103865091
3-amino-N-(2-amino-2-oxoethyl)-N-propan-2-ylbenzamide
CID 43572610
5-amino-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 61291739
5-amino-N-(2,2-difluoroethyl)-N,2-dimethylbenzamide;hydrochloride
CID 120626074
3-amino-N-(2-amino-2-oxoethyl)-2-bromo-N-propan-2-ylbenzamide
CID 113366951
5-amino-N,2-dimethyl-N-(2-methylsulfonylethyl)benzamide;hydrochloride
CID 120622618
5-amino-N,N-bis(2-hydroxyethyl)-2-methylbenzamide
CID 61289864
5-amino-N-[2-(dimethylamino)ethyl]-2-methyl-N-(2-methylpropyl)benzamide
CID 61289863
N-(2-amino-2-oxoethyl)-4-fluoro-2-iodo-N-propan-2-ylbenzamide
CID 113222881
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
CID 61095752
5-amino-2-methyl-N,N-bis(prop-2-enyl)benzamide
CID 61291356
5-amino-N-(3-amino-3-oxopropyl)-2-methylbenzamide
CID 91141603

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride (CID 120617672) is 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)N(CC(N)=O)C(C)C.Cl.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
The InChIKey is SKLRGDDQQFWYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.ClH/c1-8(2)16(7-12(15)17)13(18)11-6-10(14)5-4-9(11)3;/h4-6,8H,7,14H2,1-3H3,(H2,15,17);1H.
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride?
5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride has a molecular weight of 285.78 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-2-methyl-N-propan-2-ylbenzamide;hydrochloride is sourced from PubChem (CID 120617672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).