N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide

C19H29NO2 — CID 109379723

IUPACN-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
SMILESCC(C)(CCC(=O)NCC1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-19(2,16-8-4-3-5-9-16)12-11-18(22)20-14-15-7-6-10-17(21)13-15/h3-5,8-9,15,17,21H,6-7,10-14H2,1-2H3,(H,20,22)
InChIKeyYYCFRINIEXGQKG-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.41
Rot. Bonds6

About N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide

N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide (PubChem CID 109379723) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
PubChem CID109379723
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
SMILESCC(C)(CCC(=O)NCC1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C19H29NO2/c1-19(2,16-8-4-3-5-9-16)12-11-18(22)20-14-15-7-6-10-17(21)13-15/h3-5,8-9,15,17,21H,6-7,10-14H2,1-2H3,(H,20,22)
InChIKeyYYCFRINIEXGQKG-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
6-amino-N-[(3-hydroxycyclohexyl)methyl]-4,4-dimethylhexanamide
CID 106135278
N-(cyclopentylmethyl)-3-methyl-3-phenylbutanamide
CID 110307449
4-tert-butyl-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103691136
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
N-[(3-hydroxycyclohexyl)methyl]-4-oxopentanamide
CID 106135913
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
4-amino-N-[(3-hydroxycyclopentyl)methyl]-4-methylpentanamide
CID 106134360

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide (CID 109379723) is N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide is CC(C)(CCC(=O)NCC1CCCC(O)C1)c1ccccc1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide?
The InChIKey is YYCFRINIEXGQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-19(2,16-8-4-3-5-9-16)12-11-18(22)20-14-15-7-6-10-17(21)13-15/h3-5,8-9,15,17,21H,6-7,10-14H2,1-2H3,(H,20,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide?
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide has a molecular weight of 303.45 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 109379723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).