ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide

C21H44N2O3 — CID 145216505

IUPACethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
SMILESCC.CC.CC(C)CCCC(=O)NC(C(=O)NCC(=O)C(C)C)C(C)C
InChIInChI=1S/C17H32N2O3.2C2H6/c1-11(2)8-7-9-15(21)19-16(13(5)6)17(22)18-10-14(20)12(3)4;2*1-2/h11-13,16H,7-10H2,1-6H3,(H,18,22)(H,19,21);2*1-2H3
InChIKeyGAMKQZMLDYCOGI-UHFFFAOYSA-N
MW372.59 g/mol
LogP4.35
Rot. Bonds10

About ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide

ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide (PubChem CID 145216505) has the molecular formula C21H44N2O3 and a molecular weight of 372.59 g/mol. Its IUPAC name is ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide.

Molecular Properties

Compound Nameethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
PubChem CID145216505
Molecular FormulaC21H44N2O3
Molecular Weight372.59 g/mol
Exact Mass372.34
IUPAC Nameethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide
SMILESCC.CC.CC(C)CCCC(=O)NC(C(=O)NCC(=O)C(C)C)C(C)C
InChIInChI=1S/C17H32N2O3.2C2H6/c1-11(2)8-7-9-15(21)19-16(13(5)6)17(22)18-10-14(20)12(3)4;2*1-2/h11-13,16H,7-10H2,1-6H3,(H,18,22)(H,19,21);2*1-2H3
InChIKeyGAMKQZMLDYCOGI-UHFFFAOYSA-N
XLogP4.35
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.59
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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2,2,5-trimethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
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N-[1-({2-[butyl(methyl)amino]ethyl}amino)-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexanecarboxamide
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Ac-Leu-Leu-Leu-al
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H-Lys-Leu-Ala-Leu-Lys-Leu-Ala-Leu-Lys-Ala-Leu-Lys-Ala-Ala-Leu-Lys-Leu-Ala-NH2
CID 10464272
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CID 73345753
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide?
The IUPAC name of ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide (CID 145216505) is ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide.
What is the SMILES notation for ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide?
The canonical SMILES for ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide is CC.CC.CC(C)CCCC(=O)NC(C(=O)NCC(=O)C(C)C)C(C)C.
What is the InChIKey of ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide?
The InChIKey is GAMKQZMLDYCOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O3.2C2H6/c1-11(2)8-7-9-15(21)19-16(13(5)6)17(22)18-10-14(20)12(3)4;2*1-2/h11-13,16H,7-10H2,1-6H3,(H,18,22)(H,19,21);2*1-2H3.
What are the key properties of ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide?
ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide has a molecular weight of 372.59 g/mol, XLogP of 4.35, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-N-[3-methyl-1-[(3-methyl-2-oxobutyl)amino]-1-oxobutan-2-yl]hexanamide is sourced from PubChem (CID 145216505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).