4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide

C20H31N3O3 — CID 136527295

IUPAC4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ccon1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O3/c1-23(14-18-11-12-26-22-18)20(25)16-7-9-17(10-8-16)21-19(24)13-15-5-3-2-4-6-15/h11-12,15-17H,2-10,13-14H2,1H3,(H,21,24)
InChIKeyQVQDNCWZNMNGMH-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.28
Rot. Bonds6

About 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide

4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 136527295) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide
PubChem CID136527295
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide
SMILESCN(Cc1ccon1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O3/c1-23(14-18-11-12-26-22-18)20(25)16-7-9-17(10-8-16)21-19(24)13-15-5-3-2-4-6-15/h11-12,15-17H,2-10,13-14H2,1H3,(H,21,24)
InChIKeyQVQDNCWZNMNGMH-UHFFFAOYSA-N
XLogP3.28
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide (CID 136527295) is 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide is CN(Cc1ccon1)C(=O)C1CCC(NC(=O)CC2CCCCC2)CC1.
What is the InChIKey of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is QVQDNCWZNMNGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-23(14-18-11-12-26-22-18)20(25)16-7-9-17(10-8-16)21-19(24)13-15-5-3-2-4-6-15/h11-12,15-17H,2-10,13-14H2,1H3,(H,21,24).
What are the key properties of 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide?
4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylacetyl)amino]-N-methyl-N-(1,2-oxazol-3-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 136527295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).