methyl N-[4-(benzylcarbamoyl)phenyl]carbamate

C16H16N2O3 — CID 803106

IUPACmethyl N-[4-(benzylcarbamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)18-14-9-7-13(8-10-14)15(19)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIBMQOPVEYWFUDI-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.79
Rot. Bonds4

About methyl N-[4-(benzylcarbamoyl)phenyl]carbamate

methyl N-[4-(benzylcarbamoyl)phenyl]carbamate (PubChem CID 803106) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is methyl N-[4-(benzylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(benzylcarbamoyl)phenyl]carbamate
PubChem CID803106
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Namemethyl N-[4-(benzylcarbamoyl)phenyl]carbamate
SMILESCOC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1
InChIInChI=1S/C16H16N2O3/c1-21-16(20)18-14-9-7-13(8-10-14)15(19)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20)
InChIKeyIBMQOPVEYWFUDI-UHFFFAOYSA-N
XLogP2.79
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-(benzylcarbamoyl)phenyl]carbamate
CID 9041136
methyl N-[4-[[[4-(dimethylamino)benzoyl]amino]methyl]phenyl]carbamate
CID 60517999
1-N-benzyl-4-N-(4-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046714
methyl N-[4-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]phenyl]carbamate
CID 56548905
methyl 3-[[4-(benzylcarbamoyl)phenyl]carbamoyl]benzoate
CID 28640040
methyl N-[4-[[(2-benzyl-1,3-dioxoisoindole-5-carbonyl)amino]methyl]phenyl]carbamate
CID 55732320
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
1-N-benzyl-4-N-(4-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109046738
methyl N-[4-(ethylcarbamoyl)phenyl]carbamate
CID 17123934
methyl N-[4-[[[4-(ethylsulfamoyl)benzoyl]amino]methyl]phenyl]carbamate
CID 55846819
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
The IUPAC name of methyl N-[4-(benzylcarbamoyl)phenyl]carbamate (CID 803106) is methyl N-[4-(benzylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for methyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
The canonical SMILES for methyl N-[4-(benzylcarbamoyl)phenyl]carbamate is COC(=O)Nc1ccc(C(=O)NCc2ccccc2)cc1.
What is the InChIKey of methyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
The InChIKey is IBMQOPVEYWFUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-21-16(20)18-14-9-7-13(8-10-14)15(19)17-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of methyl N-[4-(benzylcarbamoyl)phenyl]carbamate?
methyl N-[4-(benzylcarbamoyl)phenyl]carbamate has a molecular weight of 284.32 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(benzylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 803106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).