N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide

C20H34N2O5 — CID 162006566

IUPACN-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide
SMILESCC(C)(C)C(=O)CCCC(=O)NCC(=O)CCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C20H34N2O5/c1-19(2,3)15(24)8-7-9-17(26)21-12-14(23)10-11-18(27)22-13-16(25)20(4,5)6/h7-13H2,1-6H3,(H,21,26)(H,22,27)
InChIKeyYSXJLDGTXSFXGL-UHFFFAOYSA-N
MW382.50 g/mol
LogP1.97
Rot. Bonds11

About N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide

N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide (PubChem CID 162006566) has the molecular formula C20H34N2O5 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide.

Molecular Properties

Compound NameN-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide
PubChem CID162006566
Molecular FormulaC20H34N2O5
Molecular Weight382.50 g/mol
Exact Mass382.25
IUPAC NameN-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide
SMILESCC(C)(C)C(=O)CCCC(=O)NCC(=O)CCC(=O)NCC(=O)C(C)(C)C
InChIInChI=1S/C20H34N2O5/c1-19(2,3)15(24)8-7-9-17(26)21-12-14(23)10-11-18(27)22-13-16(25)20(4,5)6/h7-13H2,1-6H3,(H,21,26)(H,22,27)
InChIKeyYSXJLDGTXSFXGL-UHFFFAOYSA-N
XLogP1.97
TPSA109.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide with MolForge

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Related Compounds

methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
CID 77231289
N,7,7-trimethyl-6-oxooctanamide
CID 149454970
5-(3-carboxypropanoylamino)-4-oxopentanoic acid
CID 102302142
N-tert-butyl-11,11-dimethyl-10-oxododecanamide
CID 176809093
N-(5,5-dimethyl-2-oxohexyl)octanamide
CID 166884720
5-(4,4-dimethylpentanoylamino)-4-oxopentanoic acid
CID 163453905
methyl 6-[(5-amino-4-oxopentanoyl)amino]-5-oxohexanoate
CID 157367237
N-(3,3-dimethyl-2-oxobutyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 58062415
5,5-dimethyl-N-[2-(methylamino)ethyl]-4-oxohexanamide
CID 123850172
N-(3,3-dimethyl-2-oxobutyl)prop-2-enamide
CID 89037508
2-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)acetamide
CID 64991981
N-(3,3-dimethyl-2-oxobutyl)-3-(oxan-2-yl)propanamide
CID 64991618

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide?
The IUPAC name of N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide (CID 162006566) is N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide.
What is the SMILES notation for N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide?
The canonical SMILES for N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide is CC(C)(C)C(=O)CCCC(=O)NCC(=O)CCC(=O)NCC(=O)C(C)(C)C.
What is the InChIKey of N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide?
The InChIKey is YSXJLDGTXSFXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N2O5/c1-19(2,3)15(24)8-7-9-17(26)21-12-14(23)10-11-18(27)22-13-16(25)20(4,5)6/h7-13H2,1-6H3,(H,21,26)(H,22,27).
What are the key properties of N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide?
N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide has a molecular weight of 382.50 g/mol, XLogP of 1.97, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,3-dimethyl-2-oxobutyl)amino]-2,5-dioxopentyl]-6,6-dimethyl-5-oxoheptanamide is sourced from PubChem (CID 162006566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).