ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate

C17H19NO2 — CID 50917501

IUPACethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)18-16(14-7-5-4-6-8-14)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,18,19)
InChIKeyBQKSYAGCSNOAHC-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.83
Rot. Bonds4

About ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate

ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate (PubChem CID 50917501) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
PubChem CID50917501
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Nameethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
SMILESCCOC(=O)NC(c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C17H19NO2/c1-3-20-17(19)18-16(14-7-5-4-6-8-14)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,18,19)
InChIKeyBQKSYAGCSNOAHC-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[phenyl(thiophen-2-yl)methyl]carbamate
CID 13090015
2-(2-ethoxyphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 8798273
ethyl N-[(R)-ethoxy(phenyl)methyl]carbamate
CID 7315555
ethyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate
CID 7023599
1-[(4-methylphenyl)-phenylmethyl]-3-propylurea
CID 133230842
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
3-(ethoxycarbonylamino)-3-phenylpropanoic acid;hydrochloride
CID 174330958
bis(4-methylphenyl)methanol;9H-fluoren-9-ylmethyl N-[bis(4-methylphenyl)methyl]carbamate
CID 158360660
ethyl N-[cyano(phenyl)methyl]carbamate
CID 60763548
ethyl N-[2-oxo-2-(1-phenylethylamino)ethyl]carbamate
CID 47187222
[(2R)-2-(ethoxycarbonylamino)-2-phenylethyl] ethyl carbonate
CID 102239022
3-(4-methylphenyl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 28578275

Frequently Asked Questions

What is the IUPAC name of ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate?
The IUPAC name of ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate (CID 50917501) is ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate.
What is the SMILES notation for ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate?
The canonical SMILES for ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate is CCOC(=O)NC(c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate?
The InChIKey is BQKSYAGCSNOAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-3-20-17(19)18-16(14-7-5-4-6-8-14)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3,(H,18,19).
What are the key properties of ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate?
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate has a molecular weight of 269.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate is sourced from PubChem (CID 50917501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).