N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide

C19H29NO2 — CID 111121758

IUPACN-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
SMILESCC(C)(CCCc1ccccc1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C19H29NO2/c1-19(2,14-6-9-15-7-4-3-5-8-15)18(22)20-16-10-12-17(21)13-11-16/h3-5,7-8,16-17,21H,6,9-14H2,1-2H3,(H,20,22)
InChIKeyDWBSJTXJBUYZJH-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.46
Rot. Bonds6

About N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide

N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide (PubChem CID 111121758) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
PubChem CID111121758
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide
SMILESCC(C)(CCCc1ccccc1)C(=O)NC1CCC(O)CC1
InChIInChI=1S/C19H29NO2/c1-19(2,14-6-9-15-7-4-3-5-8-15)18(22)20-16-10-12-17(21)13-11-16/h3-5,7-8,16-17,21H,6,9-14H2,1-2H3,(H,20,22)
InChIKeyDWBSJTXJBUYZJH-UHFFFAOYSA-N
XLogP3.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-5-phenyl-N-piperidin-3-ylpentanamide;hydrochloride
CID 119424602
N-(2-aminoethyl)-2,2-dimethyl-5-phenylpentanamide
CID 119382289
2-[(2,2-dimethyl-5-phenylpentanoyl)amino]propanoic acid
CID 119225136
1-cyclopropyl-3-(4-phenylbutyl)urea
CID 108887631
2-(2-fluorophenyl)-N-(4-hydroxycyclohexyl)-2-methylpropanamide
CID 110921286
1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
1-(4-hydroxycyclohexyl)-3-[2-(2-phenylethoxy)ethyl]urea
CID 75407560
(2-methyl-5-phenylpentan-2-yl) hydrogen carbonate
CID 150202343
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(2-cyclopropyl-2-methyl-5-phenylpentyl)cyclopropanamine
CID 83160152
1-(4-butylphenyl)-3-(4-hydroxycyclohexyl)urea
CID 110890419
N-(4-hydroxycyclohexyl)-2-[3-methyl-5-oxo-4-(2-phenylethyl)-1,2,4-triazol-1-yl]acetamide
CID 70736244

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide?
The IUPAC name of N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide (CID 111121758) is N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide.
What is the SMILES notation for N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide?
The canonical SMILES for N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide is CC(C)(CCCc1ccccc1)C(=O)NC1CCC(O)CC1.
What is the InChIKey of N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide?
The InChIKey is DWBSJTXJBUYZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-19(2,14-6-9-15-7-4-3-5-8-15)18(22)20-16-10-12-17(21)13-11-16/h3-5,7-8,16-17,21H,6,9-14H2,1-2H3,(H,20,22).
What are the key properties of N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide?
N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide has a molecular weight of 303.45 g/mol, XLogP of 3.46, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxycyclohexyl)-2,2-dimethyl-5-phenylpentanamide is sourced from PubChem (CID 111121758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).