N'-(3-methyl-2-oxobutyl)pentanediamide

C10H18N2O3 — CID 59531401

IUPACN'-(3-methyl-2-oxobutyl)pentanediamide
SMILESCC(C)C(=O)CNC(=O)CCCC(N)=O
InChIInChI=1S/C10H18N2O3/c1-7(2)8(13)6-12-10(15)5-3-4-9(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyJIFYFEGYTHZQEG-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.02
Rot. Bonds7

About N'-(3-methyl-2-oxobutyl)pentanediamide

N'-(3-methyl-2-oxobutyl)pentanediamide (PubChem CID 59531401) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is N'-(3-methyl-2-oxobutyl)pentanediamide.

Molecular Properties

Compound NameN'-(3-methyl-2-oxobutyl)pentanediamide
PubChem CID59531401
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC NameN'-(3-methyl-2-oxobutyl)pentanediamide
SMILESCC(C)C(=O)CNC(=O)CCCC(N)=O
InChIInChI=1S/C10H18N2O3/c1-7(2)8(13)6-12-10(15)5-3-4-9(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15)
InChIKeyJIFYFEGYTHZQEG-UHFFFAOYSA-N
XLogP-0.02
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
CID 142455288
(3-methyl-2-oxobutyl)urea
CID 20600814
S-methyl 6-[(3-methyl-2-oxobutyl)amino]-6-oxohexanethioate
CID 166897496
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
4-[(3-methyl-2-oxobutyl)amino]-4-oxobutanethioic S-acid
CID 146619598
6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine
CID 144918108
(E)-N-(3-methyl-2-oxobutyl)-4-oxohept-5-enamide
CID 129132634
N-(3-methyl-2-oxobutyl)-4-oxo-5-(propan-2-ylamino)pentanamide
CID 157115895
9-methyl-8-oxodecanamide
CID 168891746
N-(2-amino-2-oxoethyl)pentanamide
CID 12878232
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715

Frequently Asked Questions

What is the IUPAC name of N'-(3-methyl-2-oxobutyl)pentanediamide?
The IUPAC name of N'-(3-methyl-2-oxobutyl)pentanediamide (CID 59531401) is N'-(3-methyl-2-oxobutyl)pentanediamide.
What is the SMILES notation for N'-(3-methyl-2-oxobutyl)pentanediamide?
The canonical SMILES for N'-(3-methyl-2-oxobutyl)pentanediamide is CC(C)C(=O)CNC(=O)CCCC(N)=O.
What is the InChIKey of N'-(3-methyl-2-oxobutyl)pentanediamide?
The InChIKey is JIFYFEGYTHZQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)8(13)6-12-10(15)5-3-4-9(11)14/h7H,3-6H2,1-2H3,(H2,11,14)(H,12,15).
What are the key properties of N'-(3-methyl-2-oxobutyl)pentanediamide?
N'-(3-methyl-2-oxobutyl)pentanediamide has a molecular weight of 214.26 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methyl-2-oxobutyl)pentanediamide is sourced from PubChem (CID 59531401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).