methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate

C14H21NO3 — CID 115190466

IUPACmethyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C14H21NO3/c1-9(2)11-8-12(15(4)14(16)18-6)10(3)7-13(11)17-5/h7-9H,1-6H3
InChIKeyJZBJJDVZTYAEEZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.33
Rot. Bonds3

About methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate

methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate (PubChem CID 115190466) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
PubChem CID115190466
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C14H21NO3/c1-9(2)11-8-12(15(4)14(16)18-6)10(3)7-13(11)17-5/h7-9H,1-6H3
InChIKeyJZBJJDVZTYAEEZ-UHFFFAOYSA-N
XLogP3.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methoxy-2-methyl-5-propan-2-ylphenyl)-methylcarbamic acid
CID 115170722
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-2-oxoacetamide
CID 115166049
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
4-methoxy-N-(methoxymethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115258354
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N,N'-dimethylmethanediamine
CID 115226664
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
CID 112519692
N'-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N'-methylethane-1,2-diamine
CID 96674273
N-(4,5-dimethoxy-2-methylphenyl)-N-methylacetamide
CID 115191032
2-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 115131764
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
N-(4,5-dimethoxy-2-methylphenyl)-N-methylcarbamoyl bromide
CID 115193445
(4,5-dimethoxy-2-methylphenyl)-methylcarbamothioic S-acid
CID 115169847

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate?
The IUPAC name of methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate (CID 115190466) is methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate is COC(=O)N(C)c1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate?
The InChIKey is JZBJJDVZTYAEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)11-8-12(15(4)14(16)18-6)10(3)7-13(11)17-5/h7-9H,1-6H3.
What are the key properties of methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate?
methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate has a molecular weight of 251.33 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate is sourced from PubChem (CID 115190466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).