N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide

C16H23NO3 — CID 115760068

IUPACN-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C16H23NO3/c1-17(12-16(19)9-5-6-10-16)15(18)11-13-7-3-4-8-14(13)20-2/h3-4,7-8,19H,5-6,9-12H2,1-2H3
InChIKeyICWISEKXKNERPI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.00
Rot. Bonds5

About N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide

N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide (PubChem CID 115760068) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
PubChem CID115760068
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccccc1CC(=O)N(C)CC1(O)CCCC1
InChIInChI=1S/C16H23NO3/c1-17(12-16(19)9-5-6-10-16)15(18)11-13-7-3-4-8-14(13)20-2/h3-4,7-8,19H,5-6,9-12H2,1-2H3
InChIKeyICWISEKXKNERPI-UHFFFAOYSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)phenyl]-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 114948949
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 115759889
2-(1-hydroxycyclohexyl)-N-[2-(2-methoxyphenyl)ethyl]-N-methylacetamide
CID 111538086
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198
2-(2-methoxyphenyl)-N-[2-[[2-(2-methoxyphenyl)acetyl]-methylamino]cyclohexyl]-N-methylacetamide
CID 71910234
N-[2-(diethylamino)-2-oxoethyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 134049675
N-[(1-hydroxycyclopentyl)methyl]-3-methoxy-N-methylthiophene-2-carboxamide
CID 115760287
2-(2-methoxyphenyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]acetamide
CID 9475937
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115759697
N-(3-hydroxybutyl)-2-(2-methoxyphenyl)-N-methylacetamide
CID 111695957
2-(2-methoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)acetamide
CID 110724807
1-[1-(diethylamino)cyclopentyl]-2-(2-methoxyphenyl)ethanone
CID 79058681

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide (CID 115760068) is N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide is COc1ccccc1CC(=O)N(C)CC1(O)CCCC1.
What is the InChIKey of N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide?
The InChIKey is ICWISEKXKNERPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-17(12-16(19)9-5-6-10-16)15(18)11-13-7-3-4-8-14(13)20-2/h3-4,7-8,19H,5-6,9-12H2,1-2H3.
What are the key properties of N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide?
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide has a molecular weight of 277.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 115760068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).