Carbonic acid, monoamide, N-ethyl-, octyl ester

C11H23NO2 — CID 53683532

IUPACoctyl N-ethylcarbamate
SMILESCCCCCCCCOC(=O)NCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyBIHIRIAQHWRDJF-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.60
Rot. Bonds9

About Carbonic acid, monoamide, N-ethyl-, octyl ester

Carbonic acid, monoamide, N-ethyl-, octyl ester (PubChem CID 53683532) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is octyl N-ethylcarbamate.

Molecular Properties

Compound NameCarbonic acid, monoamide, N-ethyl-, octyl ester
PubChem CID53683532
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameoctyl N-ethylcarbamate
SMILESCCCCCCCCOC(=O)NCC
InChIInChI=1S/C11H23NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h3-10H2,1-2H3,(H,12,13)
InChIKeyBIHIRIAQHWRDJF-UHFFFAOYSA-N
XLogP3.60
TPSA38.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity137

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Carbonic acid, monoamide, N-methyl-, decyl ester
CID 14435660
Butyl-carbamic acid 12-butylcarbamoyloxy-dodecyl ester
CID 20186976
Butyl-carbamic acid 10-butylcarbamoyloxy-decyl ester
CID 44392437
Butyl-carbamic acid 8-hydroxy-octyl ester
CID 44392399
Butyl-carbamic acid 8-butylcarbamoyloxy-octyl ester
CID 44392426
Butyl-carbamic acid 14-butylcarbamoyloxy-tetradecyl ester
CID 44392446
Butyl-carbamic acid 16-butylcarbamoyloxy-hexadecyl ester
CID 44392449
Butyl-carbamic acid 10-hydroxy-decyl ester
CID 44392487
Butyl-carbamic acid 12-hydroxy-dodecyl ester
CID 44392488
Butyl-carbamic acid 14-hydroxy-tetradecyl ester
CID 44392498
Butyl-carbamic acid 16-hydroxy-hexadecyl ester
CID 44392500
1,6-Bis(octoxycarbonylamino)hexane
CID 14793287

Frequently Asked Questions

What is the IUPAC name of Carbonic acid, monoamide, N-ethyl-, octyl ester?
The IUPAC name of Carbonic acid, monoamide, N-ethyl-, octyl ester (CID 53683532) is octyl N-ethylcarbamate.
What is the SMILES notation for Carbonic acid, monoamide, N-ethyl-, octyl ester?
The canonical SMILES for Carbonic acid, monoamide, N-ethyl-, octyl ester is CCCCCCCCOC(=O)NCC.
What is the InChIKey of Carbonic acid, monoamide, N-ethyl-, octyl ester?
The InChIKey is BIHIRIAQHWRDJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-3-5-6-7-8-9-10-14-11(13)12-4-2/h3-10H2,1-2H3,(H,12,13).
What are the key properties of Carbonic acid, monoamide, N-ethyl-, octyl ester?
Carbonic acid, monoamide, N-ethyl-, octyl ester has a molecular weight of 201.31 g/mol, XLogP of 3.60, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Carbonic acid, monoamide, N-ethyl-, octyl ester is sourced from PubChem (CID 53683532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).