N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane

C17H36N2O2 — CID 169103058

IUPACN-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
SMILESCC.CCCCNC(=O)CCC(=O)N(C)CCCC(C)C
InChIInChI=1S/C15H30N2O2.C2H6/c1-5-6-11-16-14(18)9-10-15(19)17(4)12-7-8-13(2)3;1-2/h13H,5-12H2,1-4H3,(H,16,18);1-2H3
InChIKeyGIBJGBLXLTZMAT-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.60
Rot. Bonds10

About N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane

N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane (PubChem CID 169103058) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane.

Molecular Properties

Compound NameN-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
PubChem CID169103058
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC NameN-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane
SMILESCC.CCCCNC(=O)CCC(=O)N(C)CCCC(C)C
InChIInChI=1S/C15H30N2O2.C2H6/c1-5-6-11-16-14(18)9-10-15(19)17(4)12-7-8-13(2)3;1-2/h13H,5-12H2,1-4H3,(H,16,18);1-2H3
InChIKeyGIBJGBLXLTZMAT-UHFFFAOYSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-7-methyloctanamide
CID 154028337
N'-hexyl-N'-hydroxy-N-[5-[hydroxy-[4-[5-[hydroxy(4-methylpentanoyl)amino]pentylamino]-4-oxobutanoyl]amino]pentyl]butanediamide
CID 160650527
N,N'-dibutyl-N'-methylpropanediamide
CID 108941430
N-decyl-4-methylpentanamide;N-dodecyl-4-methylpentanamide;N-icosyl-4-methylpentanamide;4-methyl-N-nonylpentanamide;4-methyl-N-octadecylpentanamide;4-methyl-N-pentadecylpentanamide;4-methyl-N-tetradecylpentanamide;4-methyl-N-tridecylpentanamide;4-methyl-N-undecylpentanamide
CID 159335850
N-hexyl-6-methylheptanamide
CID 141197249
N-(7-methyloctyl)-4-oxododecanamide
CID 165096838
N-[6-[acetyl(methyl)amino]hexyl]-N-methyl-6-(pentanoylamino)hexanamide
CID 169077270
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405
3-[methyl(4-methylpentyl)amino]-3-oxopropanoic acid
CID 115163571
4-methyl-N-(6-methylheptyl)pentanamide
CID 129055781
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331
N-(3-methylbutyl)-N',N'-bis(2-tetradecoxyethyl)butanediamide
CID 176573211

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane?
The IUPAC name of N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane (CID 169103058) is N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane.
What is the SMILES notation for N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane?
The canonical SMILES for N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane is CC.CCCCNC(=O)CCC(=O)N(C)CCCC(C)C.
What is the InChIKey of N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane?
The InChIKey is GIBJGBLXLTZMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2.C2H6/c1-5-6-11-16-14(18)9-10-15(19)17(4)12-7-8-13(2)3;1-2/h13H,5-12H2,1-4H3,(H,16,18);1-2H3.
What are the key properties of N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane?
N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane has a molecular weight of 300.49 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-methyl-N'-(4-methylpentyl)butanediamide;ethane is sourced from PubChem (CID 169103058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).