4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide

C19H31N5O2 — CID 126795725

IUPAC4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H31N5O2/c1-24(12-17-20-13-21-23-17)19(26)15-7-9-16(10-8-15)22-18(25)11-14-5-3-2-4-6-14/h13-16H,2-12H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyNEICMLBZGWORBO-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.41
Rot. Bonds6

About 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide

4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 126795725) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
PubChem CID126795725
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ncn[nH]1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C19H31N5O2/c1-24(12-17-20-13-21-23-17)19(26)15-7-9-16(10-8-15)22-18(25)11-14-5-3-2-4-6-14/h13-16H,2-12H2,1H3,(H,22,25)(H,20,21,23)
InChIKeyNEICMLBZGWORBO-UHFFFAOYSA-N
XLogP2.41
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide (CID 126795725) is 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide is CN(Cc1ncn[nH]1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is NEICMLBZGWORBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-24(12-17-20-13-21-23-17)19(26)15-7-9-16(10-8-15)22-18(25)11-14-5-3-2-4-6-14/h13-16H,2-12H2,1H3,(H,22,25)(H,20,21,23).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide?
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 126795725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).