N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide

C20H30N2O5 — CID 158525900

IUPACN-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide
SMILESCC(NC(=O)CCC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C(C)(C)C
InChIInChI=1S/C20H30N2O5/c1-14(19(27)20(2,3)4)21-16(24)10-9-15(23)8-6-5-7-13-22-17(25)11-12-18(22)26/h11-12,14H,5-10,13H2,1-4H3,(H,21,24)
InChIKeySRHGFFXYSAKYSL-UHFFFAOYSA-N
MW378.47 g/mol
LogP1.94
Rot. Bonds11

About N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide

N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide (PubChem CID 158525900) has the molecular formula C20H30N2O5 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide
PubChem CID158525900
Molecular FormulaC20H30N2O5
Molecular Weight378.47 g/mol
Exact Mass378.22
IUPAC NameN-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide
SMILESCC(NC(=O)CCC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C(C)(C)C
InChIInChI=1S/C20H30N2O5/c1-14(19(27)20(2,3)4)21-16(24)10-9-15(23)8-6-5-7-13-22-17(25)11-12-18(22)26/h11-12,14H,5-10,13H2,1-4H3,(H,21,24)
InChIKeySRHGFFXYSAKYSL-UHFFFAOYSA-N
XLogP1.94
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(8-amino-2,2-dimethyl-3-oxooctan-4-yl)amino]-1-oxopropan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 155014287
(2R)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoyl]amino]propanoic acid
CID 169179364
N-[(2S)-1-[[(4S)-1,1-dihydroxy-6,6-dimethyl-5-oxoheptan-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 138576889
6-(2,5-dioxopyrrol-1-yl)-N-(3-methylbutan-2-yl)hexanamide;formic acid
CID 169179798
6-(2,5-dioxopyrrol-1-yl)-N-(3-methyl-1-oxobutan-2-yl)hexanamide
CID 123154320
6-(2,5-dioxopyrrol-1-yl)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 122490998
6-(2,5-dioxopyrrol-1-yl)-N-[(2S)-3-methyl-1-[(4-methyl-3-oxopentan-2-yl)amino]-1-oxobutan-2-yl]hexanamide
CID 155702299
N-[(2S)-1-[[(2S)-1-[4-(chloromethyl)anilino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
CID 166794332
[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]propanoylamino]propanoylamino]propanoylamino]methyl acetate
CID 170745460
2-[2-[6-[2-(2,5-dioxopyrrol-1-yl)ethylamino]hexanoylamino]propanoylamino]propanoic acid
CID 175412635
1-(7-amino-6-oxoheptyl)pyrrole-2,5-dione
CID 58173868
1-(12-amino-11-oxododecyl)pyrrole-2,5-dione
CID 58173871

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide?
The IUPAC name of N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide (CID 158525900) is N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide.
What is the SMILES notation for N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide?
The canonical SMILES for N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide is CC(NC(=O)CCC(=O)CCCCCN1C(=O)C=CC1=O)C(=O)C(C)(C)C.
What is the InChIKey of N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide?
The InChIKey is SRHGFFXYSAKYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O5/c1-14(19(27)20(2,3)4)21-16(24)10-9-15(23)8-6-5-7-13-22-17(25)11-12-18(22)26/h11-12,14H,5-10,13H2,1-4H3,(H,21,24).
What are the key properties of N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide?
N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide has a molecular weight of 378.47 g/mol, XLogP of 1.94, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-3-oxopentan-2-yl)-9-(2,5-dioxopyrrol-1-yl)-4-oxononanamide is sourced from PubChem (CID 158525900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).