[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane

C19H38N2O6 — CID 145046696

IUPAC[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane
SMILESCC.CC.CCNC(=O)CCNC(=O)C(OC(C)=O)C(C)(C)COC(C)=O
InChIInChI=1S/C15H26N2O6.2C2H6/c1-6-16-12(20)7-8-17-14(21)13(23-11(3)19)15(4,5)9-22-10(2)18;2*1-2/h13H,6-9H2,1-5H3,(H,16,20)(H,17,21);2*1-2H3
InChIKeyOFOVVITVFCHJSF-UHFFFAOYSA-N
MW390.52 g/mol
LogP2.20
Rot. Bonds9

About [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane

[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane (PubChem CID 145046696) has the molecular formula C19H38N2O6 and a molecular weight of 390.52 g/mol. Its IUPAC name is [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane.

Molecular Properties

Compound Name[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane
PubChem CID145046696
Molecular FormulaC19H38N2O6
Molecular Weight390.52 g/mol
Exact Mass390.27
IUPAC Name[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane
SMILESCC.CC.CCNC(=O)CCNC(=O)C(OC(C)=O)C(C)(C)COC(C)=O
InChIInChI=1S/C15H26N2O6.2C2H6/c1-6-16-12(20)7-8-17-14(21)13(23-11(3)19)15(4,5)9-22-10(2)18;2*1-2/h13H,6-9H2,1-5H3,(H,16,20)(H,17,21);2*1-2H3
InChIKeyOFOVVITVFCHJSF-UHFFFAOYSA-N
XLogP2.20
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane with MolForge

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Related Compounds

[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate
CID 145046697
[3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(propylamino)propyl]amino]butyl] acetate
CID 130382457
[(3R)-3-acetyloxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butyl] acetate
CID 156904721
[(3R)-3-acetyloxy-4-[[3-(2-acetylsulfanylethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate
CID 156904694
[3,3-dimethyl-1-oxo-1-[[3-oxo-3-(propylamino)propyl]amino]pentan-2-yl] acetate
CID 145046693
[3-acetyloxy-2,2-dimethyl-4-[[3-[3-[[(Z)-octadec-9-enoyl]amino]anilino]-3-oxopropyl]amino]-4-oxobutyl] acetate
CID 67795143
[3-acetyloxy-4-[[3-(4-aminophenyl)sulfanyl-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;3-[(2,4-diacetyloxy-3,3-dimethylbutanoyl)amino]propanoic acid
CID 19893682
[4-[3-[(2,4-diacetyloxy-3,3-dimethylbutanoyl)amino]propanoylamino]phenyl] octadec-9-enoate
CID 54101696
3-[(2,4-diacetyloxy-3,3-dimethylbutanoyl)amino]-6-(octadec-9-enoylamino)hexanoic acid
CID 54403873
[(3R)-4-[(3-amino-3-oxopropyl)amino]-3-butanoyloxy-2,2-dimethyl-4-oxobutyl] butanoate
CID 137356920
[4-[[3-(ethylamino)-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen phosphate
CID 170595812
[1-[(Z)-octadec-9-enoyl]piperidin-4-yl] 3-[(2,4-diacetyloxy-3,3-dimethylbutanoyl)amino]propanoate
CID 67794522

Frequently Asked Questions

What is the IUPAC name of [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane?
The IUPAC name of [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane (CID 145046696) is [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane.
What is the SMILES notation for [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane?
The canonical SMILES for [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane is CC.CC.CCNC(=O)CCNC(=O)C(OC(C)=O)C(C)(C)COC(C)=O.
What is the InChIKey of [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane?
The InChIKey is OFOVVITVFCHJSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O6.2C2H6/c1-6-16-12(20)7-8-17-14(21)13(23-11(3)19)15(4,5)9-22-10(2)18;2*1-2/h13H,6-9H2,1-5H3,(H,16,20)(H,17,21);2*1-2H3.
What are the key properties of [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane?
[3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane has a molecular weight of 390.52 g/mol, XLogP of 2.20, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-acetyloxy-4-[[3-(ethylamino)-3-oxopropyl]amino]-2,2-dimethyl-4-oxobutyl] acetate;ethane is sourced from PubChem (CID 145046696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).