2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

C17H30N4O — CID 136560299

IUPAC2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCNC(=O)CC2CCCCC2C)n(C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)17-19-15(21(4)20-17)9-10-18-16(22)11-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,18,22)
InChIKeyUKYURFUOESENJV-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.81
Rot. Bonds6

About 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide

2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 136560299) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID136560299
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Name2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCC(C)c1nc(CCNC(=O)CC2CCCCC2C)n(C)n1
InChIInChI=1S/C17H30N4O/c1-12(2)17-19-15(21(4)20-17)9-10-18-16(22)11-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,18,22)
InChIKeyUKYURFUOESENJV-UHFFFAOYSA-N
XLogP2.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1H-Tetrazole-5-pentanamide, 1-cyclohexyl-N,N-diethyl-
CID 3062259
N-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)ethyl]cyclohexanecarboxamide
CID 24246369
N-{rel-(3R,4S)-4-cyclopropyl-1-[(1-ethyl-1H-1,2,4-triazol-5-yl)methyl]-3-pyrrolidinyl}cyclohexanecarboxamide hydrochloride
CID 72873549
N-[[(3R)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95216280
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 119037063
3,3,5-trimethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]cyclohexane-1-carboxamide
CID 126835295
4,4-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 132383385
N-[(2R)-2-cyclohexylpropyl]-2,5-dimethyl-1,2,4-triazole-3-carboxamide
CID 164630970
4,4-difluoro-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 75505744
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115643614
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115694777
3-methyl-5-[rac-(1S,2R)-2-(pyrrolidin-1-ylcarbonyl)cyclohexyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazole
CID 129618112

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 136560299) is 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is CC(C)c1nc(CCNC(=O)CC2CCCCC2C)n(C)n1.
What is the InChIKey of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is UKYURFUOESENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-12(2)17-19-15(21(4)20-17)9-10-18-16(22)11-14-8-6-5-7-13(14)3/h12-14H,5-11H2,1-4H3,(H,18,22).
What are the key properties of 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylcyclohexyl)-N-[2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 136560299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).