ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate

C14H28N2O4 — CID 87185486

IUPACethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCCCCCN(C)C(=O)OCC
InChIInChI=1S/C14H28N2O4/c1-5-19-13(17)15(3)11-9-7-8-10-12-16(4)14(18)20-6-2/h5-12H2,1-4H3
InChIKeyCMJAMPSZSNTBBC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.72
Rot. Bonds9

About ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate

ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate (PubChem CID 87185486) has the molecular formula C14H28N2O4 and a molecular weight of 288.39 g/mol. Its IUPAC name is ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
PubChem CID87185486
Molecular FormulaC14H28N2O4
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Nameethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
SMILESCCOC(=O)N(C)CCCCCCN(C)C(=O)OCC
InChIInChI=1S/C14H28N2O4/c1-5-19-13(17)15(3)11-9-7-8-10-12-16(4)14(18)20-6-2/h5-12H2,1-4H3
InChIKeyCMJAMPSZSNTBBC-UHFFFAOYSA-N
XLogP2.72
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
undecyl N-methyl-N-pentylcarbamate
CID 54297307
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
ethyl N-[3-[[ethyl(propanoyl)carbamoyl]-methylamino]propyl]-N-methylcarbamate
CID 160936795
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
CID 153346338
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl N,N-di(heptadecyl)carbamate
CID 70629745

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate?
The IUPAC name of ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate (CID 87185486) is ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate is CCOC(=O)N(C)CCCCCCN(C)C(=O)OCC.
What is the InChIKey of ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate?
The InChIKey is CMJAMPSZSNTBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O4/c1-5-19-13(17)15(3)11-9-7-8-10-12-16(4)14(18)20-6-2/h5-12H2,1-4H3.
What are the key properties of ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate?
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate has a molecular weight of 288.39 g/mol, XLogP of 2.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate is sourced from PubChem (CID 87185486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).