2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide

C16H23NO4 — CID 110357017

IUPAC2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCC2(C)OCCO2)cc1C
InChIInChI=1S/C16H23NO4/c1-12-4-5-14(10-13(12)2)19-11-15(18)17-7-6-16(3)20-8-9-21-16/h4-5,10H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyQDNVYHIJYOBFLN-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.95
Rot. Bonds6

About 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide

2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide (PubChem CID 110357017) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
PubChem CID110357017
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCC2(C)OCCO2)cc1C
InChIInChI=1S/C16H23NO4/c1-12-4-5-14(10-13(12)2)19-11-15(18)17-7-6-16(3)20-8-9-21-16/h4-5,10H,6-9,11H2,1-3H3,(H,17,18)
InChIKeyQDNVYHIJYOBFLN-UHFFFAOYSA-N
XLogP1.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-(3,4-dimethylphenoxy)-N-[[(2R)-oxiran-2-yl]methyl]acetamide
CID 97180614
N-[2-(dimethylamino)ethyl]-2-(3,4-dimethylphenoxy)acetamide
CID 19165327
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
2-[[2-(3,4-dimethylphenoxy)acetyl]amino]-N-methylacetamide
CID 17404287
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
2-(3,4-dimethylphenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 112977915
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636
2-(3,4-dimethylphenoxy)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 112977913
ethyl 4-[[2-(3,4-dimethylphenoxy)acetyl]amino]butanoate
CID 60624626

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide (CID 110357017) is 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NCCC2(C)OCCO2)cc1C.
What is the InChIKey of 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
The InChIKey is QDNVYHIJYOBFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-12-4-5-14(10-13(12)2)19-11-15(18)17-7-6-16(3)20-8-9-21-16/h4-5,10H,6-9,11H2,1-3H3,(H,17,18).
What are the key properties of 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide?
2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide has a molecular weight of 293.36 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenoxy)-N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]acetamide is sourced from PubChem (CID 110357017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).