ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate

C18H20N2O3 — CID 935252

IUPACethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H20N2O3/c1-4-23-18(22)20-16-8-6-5-7-15(16)17(21)19-14-10-12(2)9-13(3)11-14/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyGVMYBYCRQPWGAZ-UHFFFAOYSA-N
MW312.37 g/mol
LogP4.12
Rot. Bonds4

About ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate

ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate (PubChem CID 935252) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate
PubChem CID935252
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Nameethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccccc1C(=O)Nc1cc(C)cc(C)c1
InChIInChI=1S/C18H20N2O3/c1-4-23-18(22)20-16-8-6-5-7-15(16)17(21)19-14-10-12(2)9-13(3)11-14/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22)
InChIKeyGVMYBYCRQPWGAZ-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate?
The IUPAC name of ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate (CID 935252) is ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate?
The canonical SMILES for ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate is CCOC(=O)Nc1ccccc1C(=O)Nc1cc(C)cc(C)c1.
What is the InChIKey of ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate?
The InChIKey is GVMYBYCRQPWGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-4-23-18(22)20-16-8-6-5-7-15(16)17(21)19-14-10-12(2)9-13(3)11-14/h5-11H,4H2,1-3H3,(H,19,21)(H,20,22).
What are the key properties of ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate?
ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate has a molecular weight of 312.37 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-[(3,5-dimethylphenyl)carbamoyl]phenyl]carbamate is sourced from PubChem (CID 935252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).