(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide

C20H31NO3 — CID 124536454

IUPAC(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H31NO3/c1-14(19(23)21(5)17-8-6-7-9-18(17)22)24-16-12-10-15(11-13-16)20(2,3)4/h10-14,17-18,22H,6-9H2,1-5H3/t14-,17-,18-/m1/s1
InChIKeyCQVOIOBFRCONBF-ZTFGCOKTSA-N
MW333.47 g/mol
LogP3.51
Rot. Bonds4

About (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide

(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide (PubChem CID 124536454) has the molecular formula C20H31NO3 and a molecular weight of 333.47 g/mol. Its IUPAC name is (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
PubChem CID124536454
Molecular FormulaC20H31NO3
Molecular Weight333.47 g/mol
Exact Mass333.23
IUPAC Name(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
SMILESC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1O
InChIInChI=1S/C20H31NO3/c1-14(19(23)21(5)17-8-6-7-9-18(17)22)24-16-12-10-15(11-13-16)20(2,3)4/h10-14,17-18,22H,6-9H2,1-5H3/t14-,17-,18-/m1/s1
InChIKeyCQVOIOBFRCONBF-ZTFGCOKTSA-N
XLogP3.51
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.47
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
The IUPAC name of (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide (CID 124536454) is (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
The canonical SMILES for (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide is C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)[C@@H]1CCCC[C@H]1O.
What is the InChIKey of (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
The InChIKey is CQVOIOBFRCONBF-ZTFGCOKTSA-N. The full InChI is InChI=1S/C20H31NO3/c1-14(19(23)21(5)17-8-6-7-9-18(17)22)24-16-12-10-15(11-13-16)20(2,3)4/h10-14,17-18,22H,6-9H2,1-5H3/t14-,17-,18-/m1/s1.
What are the key properties of (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide?
(2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide has a molecular weight of 333.47 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-tert-butylphenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide is sourced from PubChem (CID 124536454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).