N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide

C16H23NO3 — CID 64868951

IUPACN-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C16H23NO3/c1-13-7-3-4-8-14(13)20-11-15(18)17-12-16(19)9-5-2-6-10-16/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,17,18)
InChIKeyDWTBLZGHSREDHC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.19
Rot. Bonds5

About N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide

N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide (PubChem CID 64868951) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
PubChem CID64868951
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
SMILESCc1ccccc1OCC(=O)NCC1(O)CCCCC1
InChIInChI=1S/C16H23NO3/c1-13-7-3-4-8-14(13)20-11-15(18)17-12-16(19)9-5-2-6-10-16/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,17,18)
InChIKeyDWTBLZGHSREDHC-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
N-[(1-hydroxycyclobutyl)methyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 115668941
N-[(1-hydroxycyclohex-2-en-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 126851990
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]-2-(2-methylphenoxy)acetamide
CID 42266086
N-[(1-hydroxycyclobutyl)methyl]-2-(2-nitrophenoxy)acetamide
CID 115668936
2-(2-chloro-4-fluorophenoxy)-N-[(1-hydroxycyclohexyl)methyl]acetamide
CID 64868038
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
N-[(1-hydroxycyclopentyl)methyl]-4-(2-methylphenyl)butanamide
CID 110427466
N-[(1-hydroxycycloheptyl)methyl]-2-methylbenzamide
CID 22267456
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 20995004
2-(2,3-dimethylphenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716344
N-[(1-hydroxycyclohexyl)methyl]-2-(3-methoxy-4-methylphenyl)acetamide
CID 65113958

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide (CID 64868951) is N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide is Cc1ccccc1OCC(=O)NCC1(O)CCCCC1.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide?
The InChIKey is DWTBLZGHSREDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-13-7-3-4-8-14(13)20-11-15(18)17-12-16(19)9-5-2-6-10-16/h3-4,7-8,19H,2,5-6,9-12H2,1H3,(H,17,18).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide?
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide has a molecular weight of 277.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide is sourced from PubChem (CID 64868951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).