2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

C17H25NO3 — CID 115759697

IUPAC2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCc1cccc(OCC(=O)N(C)CC2(O)CCCC2)c1C
InChIInChI=1S/C17H25NO3/c1-13-7-6-8-15(14(13)2)21-11-16(19)18(3)12-17(20)9-4-5-10-17/h6-8,20H,4-5,9-12H2,1-3H3
InChIKeyRWPOLRBOIGYJAD-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.45
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide

2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (PubChem CID 115759697) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
PubChem CID115759697
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
SMILESCc1cccc(OCC(=O)N(C)CC2(O)CCCC2)c1C
InChIInChI=1S/C17H25NO3/c1-13-7-6-8-15(14(13)2)21-11-16(19)18(3)12-17(20)9-4-5-10-17/h6-8,20H,4-5,9-12H2,1-3H3
InChIKeyRWPOLRBOIGYJAD-UHFFFAOYSA-N
XLogP2.45
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dimethylphenoxy)methyl]cyclobutan-1-ol
CID 155896822
2-(4-cyanophenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 115760086
N-[(1-hydroxycyclopentyl)methyl]-2-(2-methoxyphenyl)-N-methylacetamide
CID 115760068
2-[[2-(3-hydroxy-2-methylphenoxy)acetyl]-methylamino]acetic acid
CID 110837162
N-[(3aS,6aR)-5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl]-2-(2,3-dimethylphenoxy)-N-methylacetamide
CID 134707544
N-[(1-hydroxycyclopentyl)methyl]-2-(3-methoxy-4-methylphenyl)-N-methylacetamide
CID 115759889
2-[[2-(2,3-dimethylphenoxy)acetyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8752558
2-(2,3-dimethylphenoxy)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716344
2-fluoro-N-[(1-hydroxycyclopentyl)methyl]-6-methoxy-N-methylbenzamide
CID 115760198
2-(2,3-dimethylphenoxy)-1-[4-[2-(2,3-dimethylphenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 108546513
2-(3-aminophenoxy)-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylacetamide
CID 114946878
N-(cyclopropylmethyl)-N-methyl-2-(2-methylphenoxy)acetamide
CID 94158151

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide (CID 115759697) is 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is Cc1cccc(OCC(=O)N(C)CC2(O)CCCC2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
The InChIKey is RWPOLRBOIGYJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13-7-6-8-15(14(13)2)21-11-16(19)18(3)12-17(20)9-4-5-10-17/h6-8,20H,4-5,9-12H2,1-3H3.
What are the key properties of 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide?
2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide has a molecular weight of 291.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-[(1-hydroxycyclopentyl)methyl]-N-methylacetamide is sourced from PubChem (CID 115759697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).