3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide

C17H25NO3 — CID 110025506

IUPAC3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-17(21,14-7-3-2-4-8-14)11-16(20)18-12-13-6-5-9-15(19)10-13/h2-4,7-8,13,15,19,21H,5-6,9-12H2,1H3,(H,18,20)
InChIKeyJDWFTCRXMYHPLO-UHFFFAOYSA-N
MW291.39 g/mol
LogP1.95
Rot. Bonds5

About 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide

3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide (PubChem CID 110025506) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
PubChem CID110025506
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
SMILESCC(O)(CC(=O)NCC1CCCC(O)C1)c1ccccc1
InChIInChI=1S/C17H25NO3/c1-17(21,14-7-3-2-4-8-14)11-16(20)18-12-13-6-5-9-15(19)10-13/h2-4,7-8,13,15,19,21H,5-6,9-12H2,1H3,(H,18,20)
InChIKeyJDWFTCRXMYHPLO-UHFFFAOYSA-N
XLogP1.95
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154
N-[2-(cyclopropylmethylamino)-2-oxoethyl]-3-hydroxy-3-phenylbutanamide
CID 110026477
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
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
4-(cyclopentylmethylamino)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 43529089
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
3-hydroxy-3-phenyl-N-[(1-propylpiperidin-4-yl)methyl]butanamide
CID 110025148
N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide?
The IUPAC name of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide (CID 110025506) is 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide.
What is the SMILES notation for 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide?
The canonical SMILES for 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide is CC(O)(CC(=O)NCC1CCCC(O)C1)c1ccccc1.
What is the InChIKey of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide?
The InChIKey is JDWFTCRXMYHPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-17(21,14-7-3-2-4-8-14)11-16(20)18-12-13-6-5-9-15(19)10-13/h2-4,7-8,13,15,19,21H,5-6,9-12H2,1H3,(H,18,20).
What are the key properties of 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide?
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide has a molecular weight of 291.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide is sourced from PubChem (CID 110025506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).