benzyl N-ethylcarbamate;ethane;molecular hydrogen

C12H21NO2 — CID 143096019

IUPACbenzyl N-ethylcarbamate;ethane;molecular hydrogen
SMILESCC.CCNC(=O)OCc1ccccc1.[H][H]
InChIInChI=1S/C10H13NO2.C2H6.H2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9;1-2;/h3-7H,2,8H2,1H3,(H,11,12);1-2H3;1H
InChIKeyVILDCVYHGMQLHG-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.20
Rot. Bonds3

About benzyl N-ethylcarbamate;ethane;molecular hydrogen

benzyl N-ethylcarbamate;ethane;molecular hydrogen (PubChem CID 143096019) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is benzyl N-ethylcarbamate;ethane;molecular hydrogen.

Molecular Properties

Compound Namebenzyl N-ethylcarbamate;ethane;molecular hydrogen
PubChem CID143096019
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC Namebenzyl N-ethylcarbamate;ethane;molecular hydrogen
SMILESCC.CCNC(=O)OCc1ccccc1.[H][H]
InChIInChI=1S/C10H13NO2.C2H6.H2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9;1-2;/h3-7H,2,8H2,1H3,(H,11,12);1-2H3;1H
InChIKeyVILDCVYHGMQLHG-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 174255630
benzyl N-(phenylmethoxycarbonylaminomethyl)carbamate
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benzyl N-[(2S)-2-aminopropyl]carbamate
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benzyl N-[2-(methylamino)-3-(phenylmethoxycarbonylamino)propyl]carbamate
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benzyl N-(3-amino-2,2-dimethylpropyl)carbamate
CID 5001228
benzyl N-(2,2-dimethylpropyl)carbamate
CID 10846637
benzyl N-[2-(methylamino)ethyl]carbamate
CID 10822258
benzyl N-(2-ethyl-2-hydroxybutyl)carbamate
CID 65112360
benzyl N-[2-[2-(ethoxycarbonylamino)ethylamino]ethyl]carbamate
CID 139472317
benzyl N-[(2R)-2-(propan-2-ylamino)propyl]carbamate
CID 69087591
ethyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130151248
[5-(ethylcarbamoyloxy)-3-phenylmethoxypentyl] N-ethylcarbamate
CID 59982571

Frequently Asked Questions

What is the IUPAC name of benzyl N-ethylcarbamate;ethane;molecular hydrogen?
The IUPAC name of benzyl N-ethylcarbamate;ethane;molecular hydrogen (CID 143096019) is benzyl N-ethylcarbamate;ethane;molecular hydrogen.
What is the SMILES notation for benzyl N-ethylcarbamate;ethane;molecular hydrogen?
The canonical SMILES for benzyl N-ethylcarbamate;ethane;molecular hydrogen is CC.CCNC(=O)OCc1ccccc1.[H][H].
What is the InChIKey of benzyl N-ethylcarbamate;ethane;molecular hydrogen?
The InChIKey is VILDCVYHGMQLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C2H6.H2/c1-2-11-10(12)13-8-9-6-4-3-5-7-9;1-2;/h3-7H,2,8H2,1H3,(H,11,12);1-2H3;1H.
What are the key properties of benzyl N-ethylcarbamate;ethane;molecular hydrogen?
benzyl N-ethylcarbamate;ethane;molecular hydrogen has a molecular weight of 211.31 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-ethylcarbamate;ethane;molecular hydrogen is sourced from PubChem (CID 143096019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).