ethyl N-methyl-N-(7-oxooctyl)carbamate

C12H23NO3 — CID 146646007

IUPACethyl N-methyl-N-(7-oxooctyl)carbamate
SMILESCCOC(=O)N(C)CCCCCCC(C)=O
InChIInChI=1S/C12H23NO3/c1-4-16-12(15)13(3)10-8-6-5-7-9-11(2)14/h4-10H2,1-3H3
InChIKeyGMWMUZXHQHTBLE-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.61
Rot. Bonds8

About ethyl N-methyl-N-(7-oxooctyl)carbamate

ethyl N-methyl-N-(7-oxooctyl)carbamate (PubChem CID 146646007) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl N-methyl-N-(7-oxooctyl)carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-(7-oxooctyl)carbamate
PubChem CID146646007
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl N-methyl-N-(7-oxooctyl)carbamate
SMILESCCOC(=O)N(C)CCCCCCC(C)=O
InChIInChI=1S/C12H23NO3/c1-4-16-12(15)13(3)10-8-6-5-7-9-11(2)14/h4-10H2,1-3H3
InChIKeyGMWMUZXHQHTBLE-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
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butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
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ethyl N-(2-chloroethyl)-N-methylcarbamate
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CID 54297307
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
7-[methyl(propan-2-yl)amino]heptan-2-one
CID 166554593
pentadecane-2,14-dione
CID 10966641
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CID 537416
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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-(7-oxooctyl)carbamate?
The IUPAC name of ethyl N-methyl-N-(7-oxooctyl)carbamate (CID 146646007) is ethyl N-methyl-N-(7-oxooctyl)carbamate.
What is the SMILES notation for ethyl N-methyl-N-(7-oxooctyl)carbamate?
The canonical SMILES for ethyl N-methyl-N-(7-oxooctyl)carbamate is CCOC(=O)N(C)CCCCCCC(C)=O.
What is the InChIKey of ethyl N-methyl-N-(7-oxooctyl)carbamate?
The InChIKey is GMWMUZXHQHTBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-4-16-12(15)13(3)10-8-6-5-7-9-11(2)14/h4-10H2,1-3H3.
What are the key properties of ethyl N-methyl-N-(7-oxooctyl)carbamate?
ethyl N-methyl-N-(7-oxooctyl)carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-(7-oxooctyl)carbamate is sourced from PubChem (CID 146646007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).