N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide

C14H22N4O2 — CID 17416415

IUPACN-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide
SMILESCC1CCCC(NC(=O)NC(=O)Cn2ccnc2)C1C
InChIInChI=1S/C14H22N4O2/c1-10-4-3-5-12(11(10)2)16-14(20)17-13(19)8-18-7-6-15-9-18/h6-7,9-12H,3-5,8H2,1-2H3,(H2,16,17,19,20)
InChIKeyCXRNJQIHRJHFQY-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.53
Rot. Bonds3

About N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide

N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide (PubChem CID 17416415) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide
PubChem CID17416415
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide
SMILESCC1CCCC(NC(=O)NC(=O)Cn2ccnc2)C1C
InChIInChI=1S/C14H22N4O2/c1-10-4-3-5-12(11(10)2)16-14(20)17-13(19)8-18-7-6-15-9-18/h6-7,9-12H,3-5,8H2,1-2H3,(H2,16,17,19,20)
InChIKeyCXRNJQIHRJHFQY-UHFFFAOYSA-N
XLogP1.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(1S,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934942
N-[[(1R,2R,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-pyrrolidin-1-ylacetamide
CID 11934946
N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]imidazole-1-carboxamide
CID 39871263
2-[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 61328684
N-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]carbamoyl]-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 27155073
N-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 40633300
[2-[(2,3-dimethylcyclohexyl)carbamoylamino]-2-oxoethyl] 1,5-dimethylpyrazole-4-carboxylate
CID 17468471
N-[[(1R,2S,3S)-2,3-dimethylcyclohexyl]carbamoyl]-2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetamide
CID 40818965
N-(2-aminocyclopentyl)-3-imidazol-1-ylpropanamide
CID 63251221
N-(2,3-dimethylcyclohexyl)-2-(1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)acetamide
CID 22514376
N-[(3R,4S)-1-(cyclobutylmethyl)-4-propylpyrrolidin-3-yl]-2-imidazol-1-ylacetamide;dihydrochloride
CID 154898999
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]carbamoylamino]-2-oxoethyl] 2,4-dihydroxybenzoate
CID 9467892

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide?
The IUPAC name of N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide (CID 17416415) is N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide.
What is the SMILES notation for N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide?
The canonical SMILES for N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide is CC1CCCC(NC(=O)NC(=O)Cn2ccnc2)C1C.
What is the InChIKey of N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide?
The InChIKey is CXRNJQIHRJHFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-4-3-5-12(11(10)2)16-14(20)17-13(19)8-18-7-6-15-9-18/h6-7,9-12H,3-5,8H2,1-2H3,(H2,16,17,19,20).
What are the key properties of N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide?
N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide has a molecular weight of 278.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylcyclohexyl)carbamoyl]-2-imidazol-1-ylacetamide is sourced from PubChem (CID 17416415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).