(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

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Related Compounds

(2S)-2-(4-fluorophenoxy)-N-[(1S,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 98771935
(2R)-2-(4-fluorophenoxy)-N-[(1R,2R)-2-hydroxycyclohexyl]-N-methylpropanamide
CID 124536446
(2R)-N-[(1R,2S)-2-hydroxycyclohexyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 95880421
2-(4-tert-butylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119441988
2-(2,5-dimethylphenoxy)-N-(2-hydroxycyclohexyl)-N-methylpropanamide
CID 56923272
2-(4-tert-butylphenoxy)-N-cycloheptylpropanamide
CID 19203440
N-[(1R,2R)-2-hydroxycyclohexyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propanamide
CID 133184782
N-(2-hydroxycyclohexyl)-N-methyl-2-phenylmethoxypropanamide
CID 102634873
2-(4-tert-butylphenoxy)-N,N-diethylpropanamide
CID 19204171
4-[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl]oxybenzamide
CID 51142647
2-(3-chlorophenoxy)-N-methyl-N-(2-methylcyclohexyl)propanamide
CID 112815493
2-(4-tert-butylphenoxy)propanoate
CID 71431991

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).