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

C14H24ClN5O3 — CID 119590097

IUPACN-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C14H23N5O3.ClH/c1-10-16-13(19(21)22)8-18(10)9-14(20)17-12(7-15)11-5-3-2-4-6-11;/h8,11-12H,2-7,9,15H2,1H3,(H,17,20);1H
InChIKeyGFFQEQSEUUOHJR-UHFFFAOYSA-N
MW345.83 g/mol
LogP1.55
Rot. Bonds6

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

N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride (PubChem CID 119590097) has the molecular formula C14H24ClN5O3 and a molecular weight of 345.83 g/mol. Its IUPAC name is N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
PubChem CID119590097
Molecular FormulaC14H24ClN5O3
Molecular Weight345.83 g/mol
Exact Mass345.16
IUPAC NameN-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC(CN)C1CCCCC1.Cl
InChIInChI=1S/C14H23N5O3.ClH/c1-10-16-13(19(21)22)8-18(10)9-14(20)17-12(7-15)11-5-3-2-4-6-11;/h8,11-12H,2-7,9,15H2,1H3,(H,17,20);1H
InChIKeyGFFQEQSEUUOHJR-UHFFFAOYSA-N
XLogP1.55
TPSA116.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.83
LogP ≤ 51.55
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-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 47458927
N-[2-(cycloheptylamino)ethyl]-3-(2-methyl-4-nitroimidazol-1-yl)propanamide;hydrochloride
CID 119619615
N-(1-amino-2-methylpropan-2-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
CID 119522602
N-(2-cyclopentyl-2-hydroxyethyl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 111425765
N-(1-amino-4-methylpentan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide;hydrochloride
CID 119586069
N-(2-amino-1-cyclohexylethyl)-2-methyl-5-nitropyridine-3-carboxamide;hydrochloride
CID 119591180
N-(3-ethyl-2-hydroxypentyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 111115855
N-(2-amino-1-cyclohexylethyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide;hydrochloride
CID 119591555
N-[(1R)-2-amino-1-cyclohexylethyl]-2-indazol-2-ylacetamide;dihydrochloride
CID 170897060
2-(2-methyl-4-nitroimidazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 94777260
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methyl-4-nitroimidazol-1-yl)propanamide
CID 119572968
N-(2-amino-1-cyclopentylethyl)-2-(4-nitrophenyl)acetamide
CID 106737533

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
The IUPAC name of N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride (CID 119590097) is N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
The canonical SMILES for N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride is Cc1nc([N+](=O)[O-])cn1CC(=O)NC(CN)C1CCCCC1.Cl.
What is the InChIKey of N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
The InChIKey is GFFQEQSEUUOHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O3.ClH/c1-10-16-13(19(21)22)8-18(10)9-14(20)17-12(7-15)11-5-3-2-4-6-11;/h8,11-12H,2-7,9,15H2,1H3,(H,17,20);1H.
What are the key properties of N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride?
N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride has a molecular weight of 345.83 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 119590097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).