N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide

C17H32N2O3 — CID 142455288

IUPACN-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
SMILESCCNC(=O)CCCCCCCCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C17H32N2O3/c1-4-18-16(21)11-9-7-5-6-8-10-12-17(22)19-13-15(20)14(2)3/h14H,4-13H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyATELSFVISYRDFP-UHFFFAOYSA-N
MW312.45 g/mol
LogP2.58
Rot. Bonds13

About N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide

N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide (PubChem CID 142455288) has the molecular formula C17H32N2O3 and a molecular weight of 312.45 g/mol. Its IUPAC name is N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide.

Molecular Properties

Compound NameN-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
PubChem CID142455288
Molecular FormulaC17H32N2O3
Molecular Weight312.45 g/mol
Exact Mass312.24
IUPAC NameN-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide
SMILESCCNC(=O)CCCCCCCCC(=O)NCC(=O)C(C)C
InChIInChI=1S/C17H32N2O3/c1-4-18-16(21)11-9-7-5-6-8-10-12-17(22)19-13-15(20)14(2)3/h14H,4-13H2,1-3H3,(H,18,21)(H,19,22)
InChIKeyATELSFVISYRDFP-UHFFFAOYSA-N
XLogP2.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

11-methyl-N-(3-methyl-2-oxobutyl)-10-oxododecanamide
CID 138660324
N'-(3-methyl-2-oxobutyl)-N-(5-methyl-4-oxohexyl)dodecanediamide
CID 167608472
N,N'-diethylnonanediamide
CID 89048639
S-methyl 6-[(3-methyl-2-oxobutyl)amino]-6-oxohexanethioate
CID 166897496
N'-(3-methyl-2-oxobutyl)pentanediamide
CID 59531401
16-[[(1S)-1-carboxy-4-[(3-methyl-2-oxobutyl)amino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 168851258
N-ethylhexadecanamide
CID 18377756
N-ethyltridecanamide
CID 23297417
13-methyl-12-oxo-N-(2-oxopropyl)tetradecanamide;molecular hydrogen
CID 169209715
6-methyl-N-(3-methyl-2-oxobutyl)octanamide;propan-1-amine
CID 144918108
20-(ethylamino)-20-oxoicosanoic acid
CID 59533791
N'-ethylnonanediamide
CID 18377762

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide?
The IUPAC name of N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide (CID 142455288) is N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide.
What is the SMILES notation for N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide?
The canonical SMILES for N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide is CCNC(=O)CCCCCCCCC(=O)NCC(=O)C(C)C.
What is the InChIKey of N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide?
The InChIKey is ATELSFVISYRDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3/c1-4-18-16(21)11-9-7-5-6-8-10-12-17(22)19-13-15(20)14(2)3/h14H,4-13H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide?
N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide has a molecular weight of 312.45 g/mol, XLogP of 2.58, 13 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-(3-methyl-2-oxobutyl)decanediamide is sourced from PubChem (CID 142455288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).