N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide

C15H34N2O3 — CID 142151039

IUPACN-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
SMILESCC.CCCCN(C)C(C)=O.COCCN(C)C(C)=O
InChIInChI=1S/C7H15NO.C6H13NO2.C2H6/c1-4-5-6-8(3)7(2)9;1-6(8)7(2)4-5-9-3;1-2/h4-6H2,1-3H3;4-5H2,1-3H3;1-2H3
InChIKeyQKBSJJLMGDZBKH-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.40
Rot. Bonds6

About N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide

N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide (PubChem CID 142151039) has the molecular formula C15H34N2O3 and a molecular weight of 290.45 g/mol. Its IUPAC name is N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
PubChem CID142151039
Molecular FormulaC15H34N2O3
Molecular Weight290.45 g/mol
Exact Mass290.26
IUPAC NameN-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
SMILESCC.CCCCN(C)C(C)=O.COCCN(C)C(C)=O
InChIInChI=1S/C7H15NO.C6H13NO2.C2H6/c1-4-5-6-8(3)7(2)9;1-6(8)7(2)4-5-9-3;1-2/h4-6H2,1-3H3;4-5H2,1-3H3;1-2H3
InChIKeyQKBSJJLMGDZBKH-UHFFFAOYSA-N
XLogP2.40
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-methylacetamide;ethane
CID 142088805
ethane;N-methyl-N-octylacetamide
CID 142531459
N-(2-butoxyethyl)-N-methylacetamide
CID 155404672
N-decyl-N-methylacetamide
CID 22114742
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
CID 113160069
N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
CID 168941081
N-butyl-N-methyl-2-oxopropanamide;ethane
CID 142836775
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
N'-butyl-N-(3-methoxypropyl)-N'-methylpropanediamide
CID 108943305
N-[5-(butylamino)pentyl]-N-methylacetamide;ethane;molecular hydrogen;propane
CID 167519800
2-[butyl(2-methoxyethyl)amino]ethyl dihydrogen phosphate
CID 58758794
N-[2-[heptadecyl(methyl)amino]ethyl]-N-methylacetamide
CID 10714096

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide?
The IUPAC name of N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide (CID 142151039) is N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide.
What is the SMILES notation for N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide?
The canonical SMILES for N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide is CC.CCCCN(C)C(C)=O.COCCN(C)C(C)=O.
What is the InChIKey of N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide?
The InChIKey is QKBSJJLMGDZBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H13NO2.C2H6/c1-4-5-6-8(3)7(2)9;1-6(8)7(2)4-5-9-3;1-2/h4-6H2,1-3H3;4-5H2,1-3H3;1-2H3.
What are the key properties of N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide?
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide has a molecular weight of 290.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide is sourced from PubChem (CID 142151039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).