(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate

C17H18N2O3 — CID 70033297

IUPAC(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
SMILESCc1ccc(COC(=O)N(C)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-6-8-13(9-7-12)11-22-17(21)19(2)15-5-3-4-14(10-15)16(18)20/h3-10H,11H2,1-2H3,(H2,18,20)
InChIKeyWUJANGRPBSKQBT-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.87
Rot. Bonds4

About (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate

(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate (PubChem CID 70033297) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate.

Molecular Properties

Compound Name(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
PubChem CID70033297
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate
SMILESCc1ccc(COC(=O)N(C)c2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C17H18N2O3/c1-12-6-8-13(9-7-12)11-22-17(21)19(2)15-5-3-4-14(10-15)16(18)20/h3-10H,11H2,1-2H3,(H2,18,20)
InChIKeyWUJANGRPBSKQBT-UHFFFAOYSA-N
XLogP2.87
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
The IUPAC name of (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate (CID 70033297) is (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate.
What is the SMILES notation for (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
The canonical SMILES for (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate is Cc1ccc(COC(=O)N(C)c2cccc(C(N)=O)c2)cc1.
What is the InChIKey of (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
The InChIKey is WUJANGRPBSKQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-6-8-13(9-7-12)11-22-17(21)19(2)15-5-3-4-14(10-15)16(18)20/h3-10H,11H2,1-2H3,(H2,18,20).
What are the key properties of (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate?
(4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate has a molecular weight of 298.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)methyl N-(3-carbamoylphenyl)-N-methylcarbamate is sourced from PubChem (CID 70033297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).