N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide

C19H29NO2 — CID 111459912

IUPACN-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H29NO2/c1-15(10-11-16-6-3-2-4-7-16)12-19(22)20-14-17-8-5-9-18(21)13-17/h2-4,6-7,15,17-18,21H,5,8-14H2,1H3,(H,20,22)
InChIKeyWIFYUBFYOOVDAM-UHFFFAOYSA-N
MW303.45 g/mol
LogP3.31
Rot. Bonds7

About N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide

N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide (PubChem CID 111459912) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
PubChem CID111459912
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
SMILESCC(CCc1ccccc1)CC(=O)NCC1CCCC(O)C1
InChIInChI=1S/C19H29NO2/c1-15(10-11-16-6-3-2-4-7-16)12-19(22)20-14-17-8-5-9-18(21)13-17/h2-4,6-7,15,17-18,21H,5,8-14H2,1H3,(H,20,22)
InChIKeyWIFYUBFYOOVDAM-UHFFFAOYSA-N
XLogP3.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
N-[(3-hydroxycyclohexyl)methyl]-3-(2-methoxyphenyl)butanamide
CID 111460021
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
3-amino-N-[(3-hydroxycyclohexyl)methyl]-2-methyl-3-phenylpropanamide
CID 106135106
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[(3-hydroxycyclopentyl)methyl]-2-(2-phenylethylsulfanyl)acetamide
CID 103280293
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide (CID 111459912) is N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide is CC(CCc1ccccc1)CC(=O)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide?
The InChIKey is WIFYUBFYOOVDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-15(10-11-16-6-3-2-4-7-16)12-19(22)20-14-17-8-5-9-18(21)13-17/h2-4,6-7,15,17-18,21H,5,8-14H2,1H3,(H,20,22).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide?
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide has a molecular weight of 303.45 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide is sourced from PubChem (CID 111459912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).