(3-ethylphenyl)methyl N-benzylcarbamate

C17H19NO2 — CID 174484716

IUPAC(3-ethylphenyl)methyl N-benzylcarbamate
SMILESCCc1cccc(COC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-2-14-9-6-10-16(11-14)13-20-17(19)18-12-15-7-4-3-5-8-15/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyIADKFIFVHNHWAN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.68
Rot. Bonds5

About (3-ethylphenyl)methyl N-benzylcarbamate

(3-ethylphenyl)methyl N-benzylcarbamate (PubChem CID 174484716) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (3-ethylphenyl)methyl N-benzylcarbamate.

Molecular Properties

Compound Name(3-ethylphenyl)methyl N-benzylcarbamate
PubChem CID174484716
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(3-ethylphenyl)methyl N-benzylcarbamate
SMILESCCc1cccc(COC(=O)NCc2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-2-14-9-6-10-16(11-14)13-20-17(19)18-12-15-7-4-3-5-8-15/h3-11H,2,12-13H2,1H3,(H,18,19)
InChIKeyIADKFIFVHNHWAN-UHFFFAOYSA-N
XLogP3.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
CID 161469953
3-[3-[[(4-ethylphenyl)methoxycarbonylamino]methyl]phenyl]propanoic acid
CID 142193214
benzene;ethyl N-benzylcarbamate
CID 67715166
benzyl N-[(3-methoxyphenyl)methyl]carbamate
CID 110779928
(9-ethylcarbazol-3-yl)methyl N-benzylcarbamate
CID 143174353
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
3-(phenylmethoxycarbonylamino)propyl N-[[3-[[3-(phenylmethoxycarbonylamino)propoxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 118581814
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
(3-ethylphenyl)methylurea
CID 70298508
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002

Frequently Asked Questions

What is the IUPAC name of (3-ethylphenyl)methyl N-benzylcarbamate?
The IUPAC name of (3-ethylphenyl)methyl N-benzylcarbamate (CID 174484716) is (3-ethylphenyl)methyl N-benzylcarbamate.
What is the SMILES notation for (3-ethylphenyl)methyl N-benzylcarbamate?
The canonical SMILES for (3-ethylphenyl)methyl N-benzylcarbamate is CCc1cccc(COC(=O)NCc2ccccc2)c1.
What is the InChIKey of (3-ethylphenyl)methyl N-benzylcarbamate?
The InChIKey is IADKFIFVHNHWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-2-14-9-6-10-16(11-14)13-20-17(19)18-12-15-7-4-3-5-8-15/h3-11H,2,12-13H2,1H3,(H,18,19).
What are the key properties of (3-ethylphenyl)methyl N-benzylcarbamate?
(3-ethylphenyl)methyl N-benzylcarbamate has a molecular weight of 269.34 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylphenyl)methyl N-benzylcarbamate is sourced from PubChem (CID 174484716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).