butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate

C13H28N2O3 — CID 153346338

IUPACbutane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCCC.CCOC(=O)N(C)CCN(C)C(C)=O
InChIInChI=1S/C9H18N2O3.C4H10/c1-5-14-9(13)11(4)7-6-10(3)8(2)12;1-3-4-2/h5-7H2,1-4H3;3-4H2,1-2H3
InChIKeyLDTITWHRHLEZCH-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.36
Rot. Bonds5

About butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate

butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate (PubChem CID 153346338) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate.

Molecular Properties

Compound Namebutane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
PubChem CID153346338
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Namebutane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate
SMILESCCCC.CCOC(=O)N(C)CCN(C)C(C)=O
InChIInChI=1S/C9H18N2O3.C4H10/c1-5-14-9(13)11(4)7-6-10(3)8(2)12;1-3-4-2/h5-7H2,1-4H3;3-4H2,1-2H3
InChIKeyLDTITWHRHLEZCH-UHFFFAOYSA-N
XLogP2.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
ethyl N-methyl-N-[2-[methyl(methylsulfanyl)amino]ethyl]carbamate
CID 90725170
ethyl N-methyl-N-octylcarbamate
CID 15790108
ethyl N-(2-chloroethyl)-N-methylcarbamate
CID 12882312
ethyl N-methyl-N-[3-[methyl(propanoyl)amino]propyl]carbamate
CID 170571033
ethyl N-(3,3-dimethylbutyl)-N-methylcarbamate
CID 162784649
ethyl N-methyl-N-(7-oxooctyl)carbamate
CID 146646007
ethane;ethyl N-methyl-N-(3-methylbutyl)carbamate
CID 168940776
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
N-butyl-N-methylacetamide;ethane
CID 142088805
ethyl N-(4-fluoropentyl)-N-methylcarbamate
CID 142292737
ethyl N-(2-aminoethyl)-N-methylcarbamate;2,2,2-trifluoroacetic acid
CID 87130668

Frequently Asked Questions

What is the IUPAC name of butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
The IUPAC name of butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate (CID 153346338) is butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate.
What is the SMILES notation for butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
The canonical SMILES for butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate is CCCC.CCOC(=O)N(C)CCN(C)C(C)=O.
What is the InChIKey of butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
The InChIKey is LDTITWHRHLEZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.C4H10/c1-5-14-9(13)11(4)7-6-10(3)8(2)12;1-3-4-2/h5-7H2,1-4H3;3-4H2,1-2H3.
What are the key properties of butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate?
butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate has a molecular weight of 260.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethyl N-[2-[acetyl(methyl)amino]ethyl]-N-methylcarbamate is sourced from PubChem (CID 153346338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).