N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride

C10H18ClN5O3 — CID 119522602

IUPACN-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-7-12-8(15(17)18)4-14(7)5-9(16)13-10(2,3)6-11;/h4H,5-6,11H2,1-3H3,(H,13,16);1H
InChIKeyXYLKISWRCJQOPV-UHFFFAOYSA-N
MW291.74 g/mol
LogP0.38
Rot. Bonds5

About N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride (PubChem CID 119522602) has the molecular formula C10H18ClN5O3 and a molecular weight of 291.74 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
PubChem CID119522602
Molecular FormulaC10H18ClN5O3
Molecular Weight291.74 g/mol
Exact Mass291.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CN.Cl
InChIInChI=1S/C10H17N5O3.ClH/c1-7-12-8(15(17)18)4-14(7)5-9(16)13-10(2,3)6-11;/h4H,5-6,11H2,1-3H3,(H,13,16);1H
InChIKeyXYLKISWRCJQOPV-UHFFFAOYSA-N
XLogP0.38
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
CID 119654002
N-(2-amino-2-ethylbutyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 119641118
N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 47458927
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 119572968
2-[[2-(2-methyl-4-nitroimidazol-1-yl)acetyl]amino]-2-[3-(trifluoromethyl)phenyl]propanamide
CID 146090656
2-(2-methyl-4-nitroimidazol-1-yl)-N-phenylacetamide
CID 42644444
N-(3-ethyl-2-hydroxypentyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 111115855
N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
CID 119590097
N-(3,4-dimethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 777205
1-anilino-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-one
CID 71592020
1-(4-methylanilino)-3-(2-methyl-4-nitroimidazol-1-yl)propan-2-one
CID 71592021
2-(2-methyl-4-nitroimidazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 94777260

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride (CID 119522602) is N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride is Cc1nc([N+](=O)[O-])cn1CC(=O)NC(C)(C)CN.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
The InChIKey is XYLKISWRCJQOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3.ClH/c1-7-12-8(15(17)18)4-14(7)5-9(16)13-10(2,3)6-11;/h4H,5-6,11H2,1-3H3,(H,13,16);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119522602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).