N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide

C15H21NO2 — CID 113241295

IUPACN-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCC(O)C1
InChIInChI=1S/C15H21NO2/c17-14-8-4-7-13(9-14)11-16-15(18)10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyMNJSBWRBFRVUEX-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.90
Rot. Bonds4

About N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide

N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide (PubChem CID 113241295) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
PubChem CID113241295
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)NCC1CCCC(O)C1
InChIInChI=1S/C15H21NO2/c17-14-8-4-7-13(9-14)11-16-15(18)10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18)
InChIKeyMNJSBWRBFRVUEX-UHFFFAOYSA-N
XLogP1.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-2-naphthalen-2-ylacetamide
CID 111460495
N-(cycloheptylmethyl)-2-phenylacetamide
CID 54313529
2-[benzyl(methyl)amino]-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 111459685
2-anilino-N-[(3-hydroxycyclohexyl)methyl]acetamide
CID 106135080
N-[(3-hydroxycyclohexyl)methyl]-3-methyl-5-phenylpentanamide
CID 111459912
3-hydroxy-N-[(3-hydroxycyclohexyl)methyl]-3-phenylbutanamide
CID 110025506
N-[(3-hydroxycyclopentyl)methyl]-3-phenylpropanamide
CID 103279802
N-[2-[(3-hydroxycyclohexyl)methylamino]-2-oxoethyl]-N-methylbenzamide
CID 111459956
N-[(3-hydroxycyclohexyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 111460220
N-[(3-hydroxycyclohexyl)methyl]-4-methyl-4-phenylpentanamide
CID 109379723
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
2-amino-N-[(3-hydroxycyclohexyl)methyl]-2-phenylpropanamide
CID 106135154

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide (CID 113241295) is N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide is O=C(Cc1ccccc1)NCC1CCCC(O)C1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide?
The InChIKey is MNJSBWRBFRVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c17-14-8-4-7-13(9-14)11-16-15(18)10-12-5-2-1-3-6-12/h1-3,5-6,13-14,17H,4,7-11H2,(H,16,18).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide?
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide has a molecular weight of 247.34 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 113241295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).