N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide

C12H18N4O3 — CID 47458927

IUPACN-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC1CCCCC1
InChIInChI=1S/C12H18N4O3/c1-9-13-11(16(18)19)7-15(9)8-12(17)14-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,17)
InChIKeyLETANUQKYXAIIF-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.55
Rot. Bonds4

About N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide

N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide (PubChem CID 47458927) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
PubChem CID47458927
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
SMILESCc1nc([N+](=O)[O-])cn1CC(=O)NC1CCCCC1
InChIInChI=1S/C12H18N4O3/c1-9-13-11(16(18)19)7-15(9)8-12(17)14-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,17)
InChIKeyLETANUQKYXAIIF-UHFFFAOYSA-N
XLogP1.55
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-amino-1-cyclohexylethyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide;hydrochloride
CID 119590097
2-(2-methyl-4-nitroimidazol-1-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511457
N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 71821715
N-cyclohexyl-2-(5-methyl-3-nitropyrazol-1-yl)acetamide
CID 749619
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
2-(2-methyl-4-nitroimidazol-1-yl)-N-phenylacetamide
CID 42644444
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-methyl-4-nitroimidazol-1-yl)ethanone
CID 95161813
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(2-methyl-4-nitroimidazol-1-yl)ethanone
CID 119649810
N-(2-amino-2-ethylbutyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 119641118
N-(3,4-dimethylphenyl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 777205

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide (CID 47458927) is N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide is Cc1nc([N+](=O)[O-])cn1CC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
The InChIKey is LETANUQKYXAIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-9-13-11(16(18)19)7-15(9)8-12(17)14-10-5-3-2-4-6-10/h7,10H,2-6,8H2,1H3,(H,14,17).
What are the key properties of N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide?
N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-methyl-4-nitroimidazol-1-yl)acetamide is sourced from PubChem (CID 47458927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).