N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide

C11H20N2O3 — CID 155261151

IUPACN-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
SMILESCCNC(=O)CCCC(=O)NC(C)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-4-12-10(15)6-5-7-11(16)13-8(2)9(3)14/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyJJSWJSIGFGHNHZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.39
Rot. Bonds7

About N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide

N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide (PubChem CID 155261151) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
PubChem CID155261151
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC NameN-ethyl-N'-(3-oxobutan-2-yl)pentanediamide
SMILESCCNC(=O)CCCC(=O)NC(C)C(C)=O
InChIInChI=1S/C11H20N2O3/c1-4-12-10(15)6-5-7-11(16)13-8(2)9(3)14/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16)
InChIKeyJJSWJSIGFGHNHZ-UHFFFAOYSA-N
XLogP0.39
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-oxobutan-2-yl)propanamide
CID 22943760
(2S)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 119359647
(2R)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 119368410
4-methyl-N-[(2S)-3-oxobutan-2-yl]pentanamide
CID 129136562
methyl 8-oxo-8-(3-oxobutan-2-ylamino)octanoate
CID 167554716
N,N'-diethylnonanediamide
CID 89048639
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]octanamide
CID 162387449
(9Z,11E)-N-(3-oxobutan-2-yl)octadeca-9,11-dienamide
CID 158414740
5-[[1,5-bis(ethylamino)-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 145326538
methyl 4-oxo-4-(3-oxobutan-2-ylamino)butanoate
CID 167666613
7-amino-N-[1-(ethylamino)-1-oxopropan-2-yl]heptanamide
CID 43579253
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-(propan-2-ylamino)butanamide
CID 60850068

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide?
The IUPAC name of N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide (CID 155261151) is N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide.
What is the SMILES notation for N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide?
The canonical SMILES for N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide is CCNC(=O)CCCC(=O)NC(C)C(C)=O.
What is the InChIKey of N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide?
The InChIKey is JJSWJSIGFGHNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-12-10(15)6-5-7-11(16)13-8(2)9(3)14/h8H,4-7H2,1-3H3,(H,12,15)(H,13,16).
What are the key properties of N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide?
N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide has a molecular weight of 228.29 g/mol, XLogP of 0.39, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-oxobutan-2-yl)pentanediamide is sourced from PubChem (CID 155261151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).