benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide

C18H19NO4 — CID 161469953

IUPACbenzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
SMILESCCc1ccc(CNC(=O)OCc2ccccc2)cc1.O=C=O
InChIInChI=1S/C17H19NO2.CO2/c1-2-14-8-10-15(11-9-14)12-18-17(19)20-13-16-6-4-3-5-7-16;2-1-3/h3-11H,2,12-13H2,1H3,(H,18,19);
InChIKeyWCYFIOKOEGQNPZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.09
Rot. Bonds5

About benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide

benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide (PubChem CID 161469953) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide.

Molecular Properties

Compound Namebenzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
PubChem CID161469953
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Namebenzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide
SMILESCCc1ccc(CNC(=O)OCc2ccccc2)cc1.O=C=O
InChIInChI=1S/C17H19NO2.CO2/c1-2-14-8-10-15(11-9-14)12-18-17(19)20-13-16-6-4-3-5-7-16;2-1-3/h3-11H,2,12-13H2,1H3,(H,18,19);
InChIKeyWCYFIOKOEGQNPZ-UHFFFAOYSA-N
XLogP3.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethylphenyl)methyl N-benzylcarbamate
CID 174484716
benzyl N-[2-(4-ethylphenyl)ethyl]carbamate
CID 90974027
4-(phenylmethoxycarbonylaminomethyl)benzoic acid
CID 1479997
(4-fluorophenyl)methyl N-benzylcarbamate
CID 11334433
benzyl N-[(4-ethylsulfonylphenyl)methyl]carbamate
CID 110784595
2-[(4-ethylphenyl)methoxycarbonylamino]acetic acid
CID 95452896
(4-propan-2-ylphenyl)methyl N-benzylcarbamate
CID 141057085
3-[3-[[(4-ethylphenyl)methoxycarbonylamino]methyl]phenyl]propanoic acid
CID 142193214
benzyl N-[[4-(methylcarbamoyl)phenyl]methyl]carbamate
CID 1480002
benzene;ethyl N-benzylcarbamate
CID 67715166
benzyl N-[[4-[[(2,2-diphenylacetyl)amino]methyl]phenyl]methyl]carbamate
CID 21035397
benzyl N-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methyl]carbamate
CID 68540844

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide?
The IUPAC name of benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide (CID 161469953) is benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide.
What is the SMILES notation for benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide?
The canonical SMILES for benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide is CCc1ccc(CNC(=O)OCc2ccccc2)cc1.O=C=O.
What is the InChIKey of benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide?
The InChIKey is WCYFIOKOEGQNPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.CO2/c1-2-14-8-10-15(11-9-14)12-18-17(19)20-13-16-6-4-3-5-7-16;2-1-3/h3-11H,2,12-13H2,1H3,(H,18,19);.
What are the key properties of benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide?
benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide has a molecular weight of 313.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(4-ethylphenyl)methyl]carbamate;carbon dioxide is sourced from PubChem (CID 161469953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).