methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate

C13H19NO2 — CID 115190697

IUPACmethyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
SMILESCOC(=O)N(C)Cc1ccc(C)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-6-7-12(11(3)10(9)2)8-14(4)13(15)16-5/h6-7H,8H2,1-5H3
InChIKeyMINPEHDZDBFRBV-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.81
Rot. Bonds2

About methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate

methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate (PubChem CID 115190697) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
PubChem CID115190697
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Namemethyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate
SMILESCOC(=O)N(C)Cc1ccc(C)c(C)c1C
InChIInChI=1S/C13H19NO2/c1-9-6-7-12(11(3)10(9)2)8-14(4)13(15)16-5/h6-7H,8H2,1-5H3
InChIKeyMINPEHDZDBFRBV-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]acetate
CID 115232994
3-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]propanoic acid
CID 115218318
4-[methyl-[(2,3,4-trimethylphenyl)methyl]amino]-4-oxobutanoic acid
CID 115163716
2-(aminomethyl)-N-methyl-N-[(2,3,4-trimethylphenyl)methyl]butanamide
CID 115187031
methyl (2R)-2-(dimethylamino)-3-(2,3,4-trimethylphenyl)propanoate
CID 70617449
methyl N-[(2-methoxy-3,5-dimethylphenyl)methyl]-N-methylcarbamate
CID 115190641
[methyl-[(2,3,4-trimethylphenyl)methyl]amino]methanol
CID 115229232
N-[(4-methoxy-2,3-dimethylphenyl)methyl]-N-methylacetamide
CID 115191161
methyl N-[(5-chloro-2-methoxy-4-methylphenyl)methyl]-N-methylcarbamate
CID 115190631
methyl 2-[(2,5-dimethylphenyl)methyl-methylamino]-2-oxoacetate
CID 115142441
methyl N-[(4-hydroxyphenyl)methyl]-N-methylcarbamate
CID 61044601
methyl N-[(5-amino-2-chlorophenyl)methyl]-N-methylcarbamate
CID 43551425

Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate?
The IUPAC name of methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate (CID 115190697) is methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate is COC(=O)N(C)Cc1ccc(C)c(C)c1C.
What is the InChIKey of methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate?
The InChIKey is MINPEHDZDBFRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-9-6-7-12(11(3)10(9)2)8-14(4)13(15)16-5/h6-7H,8H2,1-5H3.
What are the key properties of methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate?
methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate has a molecular weight of 221.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[(2,3,4-trimethylphenyl)methyl]carbamate is sourced from PubChem (CID 115190697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).