[4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate

C15H22N2O4 — CID 118595720

IUPAC[4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCOCc1ccc(OC(=O)N(C)CCN(C)C(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-12(18)16(2)9-10-17(3)15(19)21-14-7-5-13(6-8-14)11-20-4/h5-8H,9-11H2,1-4H3
InChIKeyDRWHGTYSQYYDPB-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.74
Rot. Bonds6

About [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate

[4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 118595720) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Name[4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID118595720
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name[4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCOCc1ccc(OC(=O)N(C)CCN(C)C(C)=O)cc1
InChIInChI=1S/C15H22N2O4/c1-12(18)16(2)9-10-17(3)15(19)21-14-7-5-13(6-8-14)11-20-4/h5-8H,9-11H2,1-4H3
InChIKeyDRWHGTYSQYYDPB-UHFFFAOYSA-N
XLogP1.74
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-methyl-N-[2-[methyl(phenoxycarbonyl)amino]ethyl]carbamate
CID 124926393
[4-(methoxymethyl)phenyl] N-fluorocarbamate;molecular fluorine
CID 91256621
(4-methoxyphenyl) N-(2-aminoethyl)-N-methylcarbamate;hydrochloride
CID 45259199
[4-[2-[4-[4-(methoxymethyl)phenoxy]carbonyloxyphenyl]propan-2-yl]phenyl] [4-(methoxymethyl)phenyl] carbonate
CID 59205641
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
(4-tert-butylphenyl) N-(2-cyanoethyl)-N-methylcarbamate
CID 116819926
N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide
CID 115191288
[4-(trifluoromethyl)phenyl] N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 177453696
phenyl N-butyl-N-methylcarbamate
CID 564973
methane;[4-(methylamino)phenyl]methyl N-[2-[methoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;molecular hydrogen
CID 171843577
carbanide;[4-(2,2-dimethylpropyl)phenyl] N-[2-[2,2-dimethylpropoxycarbonyl(methyl)amino]ethyl]-N-methylcarbamate;(2H)formonitrile;tris(yttrium)
CID 163980142
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123

Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate (CID 118595720) is [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate is COCc1ccc(OC(=O)N(C)CCN(C)C(C)=O)cc1.
What is the InChIKey of [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is DRWHGTYSQYYDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(18)16(2)9-10-17(3)15(19)21-14-7-5-13(6-8-14)11-20-4/h5-8H,9-11H2,1-4H3.
What are the key properties of [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
[4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 294.35 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)phenyl] N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 118595720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).