N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide

C16H22N2O4 — CID 86868489

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)COCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)18(2)14-7-5-13(6-8-14)17-16(20)11-21-10-15-4-3-9-22-15/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyJNGMRUFGJSJDKH-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.80
Rot. Bonds6

About N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide (PubChem CID 86868489) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
PubChem CID86868489
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)COCC2CCCO2)cc1
InChIInChI=1S/C16H22N2O4/c1-12(19)18(2)14-7-5-13(6-8-14)17-16(20)11-21-10-15-4-3-9-22-15/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,20)
InChIKeyJNGMRUFGJSJDKH-UHFFFAOYSA-N
XLogP1.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylphenyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 43376615
2-ethoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 131944561
N-[4-(dimethylamino)phenyl]-2-(oxolan-2-yl)acetamide
CID 110696648
3-[acetyl(oxolan-2-ylmethyl)amino]-N-[4-(dimethylamino)phenyl]propanamide
CID 113117399
3-[[2-[4-[acetyl(methyl)amino]anilino]-2-oxoethyl]amino]-N-(oxolan-2-ylmethyl)benzamide
CID 54837003
2-(oxolan-2-ylmethoxy)-N-(1,2-thiazol-5-yl)acetamide
CID 126829996
1-(oxolan-2-ylmethoxy)propan-2-one
CID 43798300
N-(2-oxo-3H-1,3-benzothiazol-6-yl)-2-[[(2R)-oxolan-2-yl]methoxy]acetamide
CID 96570205
N-(5-methylsulfanyl-3-pyridinyl)-2-(oxolan-2-ylmethoxy)acetamide
CID 126830880
N-[3-(1-methylsulfanylethyl)phenyl]-2-(oxolan-2-ylmethoxy)acetamide
CID 56785834
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
2-(4-tert-butylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957983

Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide (CID 86868489) is N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide is CC(=O)N(C)c1ccc(NC(=O)COCC2CCCO2)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
The InChIKey is JNGMRUFGJSJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)18(2)14-7-5-13(6-8-14)17-16(20)11-21-10-15-4-3-9-22-15/h5-8,15H,3-4,9-11H2,1-2H3,(H,17,20).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide has a molecular weight of 306.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-(oxolan-2-ylmethoxy)acetamide is sourced from PubChem (CID 86868489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).