N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide

C19H29NO2 — CID 15274526

IUPACN-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide
SMILESC[C@H](c1ccccc1NC(=O)C(C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C19H29NO2/c1-14(19(22)12-8-5-9-13-19)15-10-6-7-11-16(15)20-17(21)18(2,3)4/h6-7,10-11,14,22H,5,8-9,12-13H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyOEIYRQOFNABQCH-CQSZACIVSA-N
MW303.45 g/mol
LogP4.47
Rot. Bonds3

About N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide

N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide (PubChem CID 15274526) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide
PubChem CID15274526
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide
SMILESC[C@H](c1ccccc1NC(=O)C(C)(C)C)C1(O)CCCCC1
InChIInChI=1S/C19H29NO2/c1-14(19(22)12-8-5-9-13-19)15-10-6-7-11-16(15)20-17(21)18(2,3)4/h6-7,10-11,14,22H,5,8-9,12-13H2,1-4H3,(H,20,21)/t14-/m1/s1
InChIKeyOEIYRQOFNABQCH-CQSZACIVSA-N
XLogP4.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
2,2-dimethyl-N-[2-[phenyl(sulfanyl)methyl]phenyl]propanamide
CID 10828026
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2,2-dimethyl-N-[2-[(R)-phenyl(trimethylstannyl)methyl]phenyl]propanamide
CID 177388876
2,2-dimethyl-N-[2-[(2S)-tridecan-2-yl]phenyl]propanamide
CID 15274530
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
2,2-dimethyl-N-(2-propan-2-yl-3-pyridinyl)propanamide
CID 178129632
1-N'-tert-butyl-1-N-(2-propan-2-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979351
S-[2-(2,2-dimethylpropanoylamino)phenyl] 2-[2-[(1-methylcyclohexanecarbonyl)amino]phenyl]ethanethioate
CID 22956271
2,4-dioxo-N-(2-propan-2-ylphenyl)-1-azaspiro[4.5]decane-3-carboxamide
CID 91470052
N-[2-(1-aminoethyl)phenyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107176027
1-[(1-phenylcyclohexyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 14977491

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide (CID 15274526) is N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide is C[C@H](c1ccccc1NC(=O)C(C)(C)C)C1(O)CCCCC1.
What is the InChIKey of N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide?
The InChIKey is OEIYRQOFNABQCH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H29NO2/c1-14(19(22)12-8-5-9-13-19)15-10-6-7-11-16(15)20-17(21)18(2,3)4/h6-7,10-11,14,22H,5,8-9,12-13H2,1-4H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide?
N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide has a molecular weight of 303.45 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-(1-hydroxycyclohexyl)ethyl]phenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 15274526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).