N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide

C18H26N2O4 — CID 140597165

IUPACN-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1c1c(CNC(C)=O)cccc1OC
InChIInChI=1S/C18H26N2O4/c1-6-20-11-18(3,4)24-17(22)16(20)15-13(10-19-12(2)21)8-7-9-14(15)23-5/h7-9,16H,6,10-11H2,1-5H3,(H,19,21)
InChIKeyKMFKQSXFQORJEY-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.03
Rot. Bonds5

About N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide

N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide (PubChem CID 140597165) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide
PubChem CID140597165
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide
SMILESCCN1CC(C)(C)OC(=O)C1c1c(CNC(C)=O)cccc1OC
InChIInChI=1S/C18H26N2O4/c1-6-20-11-18(3,4)24-17(22)16(20)15-13(10-19-12(2)21)8-7-9-14(15)23-5/h7-9,16H,6,10-11H2,1-5H3,(H,19,21)
InChIKeyKMFKQSXFQORJEY-UHFFFAOYSA-N
XLogP2.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,6-dimethoxyphenyl)methyl]acetamide
CID 18718180
(3R)-2-ethyl-N-[(2-methoxyphenyl)methyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 92740158
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 4260642
2-ethyl-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
CID 46340953
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
(2S)-4-ethyl-N-[(2-methoxyphenyl)methyl]-2-methyl-3-oxopyrido[3,2-b][1,4]oxazine-2-carboxamide
CID 95102517
N-[[3-methoxy-2-(2-propan-2-yloxyethyl)phenyl]methyl]acetamide
CID 166718963
dimethyl 3-(acetamidomethyl)benzene-1,2-dicarboxylate
CID 21040132
2-hydroxy-3-methoxy-N-[(1-methylcyclobutyl)methyl]benzamide
CID 103738116
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-1,2-dimethyl-4-methylsulfonyl-6-oxopiperazine-2-carboxamide
CID 46276013

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide?
The IUPAC name of N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide (CID 140597165) is N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide.
What is the SMILES notation for N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide?
The canonical SMILES for N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide is CCN1CC(C)(C)OC(=O)C1c1c(CNC(C)=O)cccc1OC.
What is the InChIKey of N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide?
The InChIKey is KMFKQSXFQORJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-6-20-11-18(3,4)24-17(22)16(20)15-13(10-19-12(2)21)8-7-9-14(15)23-5/h7-9,16H,6,10-11H2,1-5H3,(H,19,21).
What are the key properties of N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide?
N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethyl-6,6-dimethyl-2-oxomorpholin-3-yl)-3-methoxyphenyl]methyl]acetamide is sourced from PubChem (CID 140597165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).