3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide

C18H27NO3 — CID 110025782

IUPAC3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide
SMILESCN(C(=O)CC(C)(O)c1ccccc1)C1CCC(CO)CC1
InChIInChI=1S/C18H27NO3/c1-18(22,15-6-4-3-5-7-15)12-17(21)19(2)16-10-8-14(13-20)9-11-16/h3-7,14,16,20,22H,8-13H2,1-2H3
InChIKeyAOLPJLRHLIZIMN-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.29
Rot. Bonds5

About 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide

3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide (PubChem CID 110025782) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide
PubChem CID110025782
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Name3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide
SMILESCN(C(=O)CC(C)(O)c1ccccc1)C1CCC(CO)CC1
InChIInChI=1S/C18H27NO3/c1-18(22,15-6-4-3-5-7-15)12-17(21)19(2)16-10-8-14(13-20)9-11-16/h3-7,14,16,20,22H,8-13H2,1-2H3
InChIKeyAOLPJLRHLIZIMN-UHFFFAOYSA-N
XLogP2.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
N-(2-hydroxy-2-phenylpropyl)-2-(4-methoxycyclohexyl)-N-methylacetamide
CID 138000763
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
N-(cyclopropylmethyl)-2-hydroxy-N-methyl-2,2-diphenylacetamide
CID 110901041
3-hydroxy-N-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylbutanamide
CID 110026083
N-(4-aminocyclohexyl)-N-methyl-2-phenylacetamide
CID 79121383
1-cyclopropyl-2-(2-hydroxy-2-phenylpropyl)-1-methylguanidine;hydroiodide
CID 110031488
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-hydroxy-3-phenylbutan-1-one
CID 110025380
N-[2-[cyclohexyl(methyl)amino]ethyl]-3-hydroxy-3-phenylbutanamide
CID 110025076
1-[cyclopropyl(2-hydroxyethyl)amino]-2-phenylpropan-2-ol
CID 62373661
N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-2-(oxan-4-yl)acetamide
CID 115277339
4-[cyclopropyl(ethyl)amino]-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43437578

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide (CID 110025782) is 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide is CN(C(=O)CC(C)(O)c1ccccc1)C1CCC(CO)CC1.
What is the InChIKey of 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide?
The InChIKey is AOLPJLRHLIZIMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-18(22,15-6-4-3-5-7-15)12-17(21)19(2)16-10-8-14(13-20)9-11-16/h3-7,14,16,20,22H,8-13H2,1-2H3.
What are the key properties of 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide?
3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide has a molecular weight of 305.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-(hydroxymethyl)cyclohexyl]-N-methyl-3-phenylbutanamide is sourced from PubChem (CID 110025782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).