(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid

C20H26N2O4 — CID 70213575

IUPAC(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid
SMILESCNC(=O)Oc1ccc(C)c(C)c1.Cc1ccc(CNC(=O)O)cc1C
InChIInChI=1S/2C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3;1-7-3-4-9(5-8(7)2)6-11-10(12)13/h4-6H,1-3H3,(H,11,12);3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyHVLMBTCHPYVABG-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.09
Rot. Bonds3

About (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid

(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid (PubChem CID 70213575) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid
PubChem CID70213575
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid
SMILESCNC(=O)Oc1ccc(C)c(C)c1.Cc1ccc(CNC(=O)O)cc1C
InChIInChI=1S/2C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3;1-7-3-4-9(5-8(7)2)6-11-10(12)13/h4-6H,1-3H3,(H,11,12);3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyHVLMBTCHPYVABG-UHFFFAOYSA-N
XLogP4.09
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl) N-(3-hydroxypropyl)carbamate
CID 116819687
(6-methoxynaphthalen-2-yl)methylcarbamic acid
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(3,4-dimethylphenyl) N-ethenylcarbamate
CID 71409278
[4-(2,5-dimethylpyrrol-1-yl)-3-methylphenyl] N-methylcarbamate
CID 134111730
[3-(2,2-dichloroethenyl)-4-methylphenyl] N-methylcarbamate
CID 117060207
2-(3,4-dimethylphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24646594
phenyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572636
(2S)-2-(3,4-dimethylphenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528641
1-(2-amino-4-methoxyphenyl)-3-[(3,4-dimethylphenyl)methyl]urea
CID 143443885
(3,4-dimethylphenyl) ethyl carbonate
CID 19704470
1-[(4-bromophenyl)methyl]-3-[(3,4-dimethylphenoxy)methyl]urea
CID 108879296
1-[2-(3,4-dimethylphenoxy)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 112974093

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid?
The IUPAC name of (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid (CID 70213575) is (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid.
What is the SMILES notation for (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid?
The canonical SMILES for (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid is CNC(=O)Oc1ccc(C)c(C)c1.Cc1ccc(CNC(=O)O)cc1C.
What is the InChIKey of (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid?
The InChIKey is HVLMBTCHPYVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H13NO2/c1-7-4-5-9(6-8(7)2)13-10(12)11-3;1-7-3-4-9(5-8(7)2)6-11-10(12)13/h4-6H,1-3H3,(H,11,12);3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid?
(3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid has a molecular weight of 358.44 g/mol, XLogP of 4.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) N-methylcarbamate;(3,4-dimethylphenyl)methylcarbamic acid is sourced from PubChem (CID 70213575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).