N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate

C20H46N2O3 — CID 168941081

IUPACN-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
SMILESCC.CC.CCCCN(C)C(C)=O.COC(=O)N(C)CCCC(C)C
InChIInChI=1S/C9H19NO2.C7H15NO.2C2H6/c1-8(2)6-5-7-10(3)9(11)12-4;1-4-5-6-8(3)7(2)9;2*1-2/h8H,5-7H2,1-4H3;4-6H2,1-3H3;2*1-2H3
InChIKeyJADUVVDJOQYXJP-UHFFFAOYSA-N
MW362.60 g/mol
LogP5.44
Rot. Bonds7

About N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate

N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate (PubChem CID 168941081) has the molecular formula C20H46N2O3 and a molecular weight of 362.60 g/mol. Its IUPAC name is N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate.

Molecular Properties

Compound NameN-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
PubChem CID168941081
Molecular FormulaC20H46N2O3
Molecular Weight362.60 g/mol
Exact Mass362.35
IUPAC NameN-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate
SMILESCC.CC.CCCCN(C)C(C)=O.COC(=O)N(C)CCCC(C)C
InChIInChI=1S/C9H19NO2.C7H15NO.2C2H6/c1-8(2)6-5-7-10(3)9(11)12-4;1-4-5-6-8(3)7(2)9;2*1-2/h8H,5-7H2,1-4H3;4-6H2,1-3H3;2*1-2H3
InChIKeyJADUVVDJOQYXJP-UHFFFAOYSA-N
XLogP5.44
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(4-methylpentyl)acetamide
CID 115191246
N-butyl-N-methylacetamide;ethane
CID 142088805
methyl N-hexyl-N-methylcarbamate
CID 14923771
N-butyl-N-methylacetamide;ethane;N-(2-methoxyethyl)-N-methylacetamide
CID 142151039
ethane;N-methyl-N-octylacetamide
CID 142531459
methyl N-butyl-N-(2-methylpropyl)carbamate
CID 170640282
N-decyl-N-methylacetamide
CID 22114742
methyl N-(3-hydroxypropyl)-N-methylcarbamate
CID 119098587
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
CID 169103058
N-butyl-N,4-dimethylpentan-1-amine
CID 88539043
methyl 3-methyl-2-[methyl(4-methylpentyl)carbamoyl]butanoate
CID 115188094
methyl 2,2-dimethyl-3-[methyl(4-methylpentyl)amino]-3-oxopropanoate
CID 115174897

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate?
The IUPAC name of N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate (CID 168941081) is N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate.
What is the SMILES notation for N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate?
The canonical SMILES for N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate is CC.CC.CCCCN(C)C(C)=O.COC(=O)N(C)CCCC(C)C.
What is the InChIKey of N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate?
The InChIKey is JADUVVDJOQYXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.C7H15NO.2C2H6/c1-8(2)6-5-7-10(3)9(11)12-4;1-4-5-6-8(3)7(2)9;2*1-2/h8H,5-7H2,1-4H3;4-6H2,1-3H3;2*1-2H3.
What are the key properties of N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate?
N-butyl-N-methylacetamide;ethane;methyl N-methyl-N-(4-methylpentyl)carbamate has a molecular weight of 362.60 g/mol, XLogP of 5.44, 7 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;methyl N-methyl-N-(4-methylpentyl)carbamate is sourced from PubChem (CID 168941081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).