N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

C18H28N2O5 — CID 123359777

IUPACN-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)C(C)(C)CCOC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H28N2O5/c1-13(21)17(2,3)9-11-25-18(4,5)12-19-14(22)8-10-20-15(23)6-7-16(20)24/h6-7H,8-12H2,1-5H3,(H,19,22)
InChIKeyKPPMZBXLNYVMBC-UHFFFAOYSA-N
MW352.43 g/mol
LogP1.22
Rot. Bonds10

About N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide

N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 123359777) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID123359777
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC NameN-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)C(C)(C)CCOC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C18H28N2O5/c1-13(21)17(2,3)9-11-25-18(4,5)12-19-14(22)8-10-20-15(23)6-7-16(20)24/h6-7H,8-12H2,1-5H3,(H,19,22)
InChIKeyKPPMZBXLNYVMBC-UHFFFAOYSA-N
XLogP1.22
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(3,3-dimethyl-2-oxobutoxy)ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 69030772
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-methyl-4-(3-methylpentan-3-yloxy)butan-2-yl]oxyethyl]propanamide
CID 91491022
N-[2-[2-[2-[2-(4,4-dimethyl-3-oxopentoxy)ethoxy]ethoxy]ethoxy]ethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 121312025
N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 123657752
N-[3-(3,3-dimethylbutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 126625124
N-[2-[4-(1-amino-2-methylbutan-2-yl)oxy-2-methylbutan-2-yl]oxyethyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 131993705
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-4-(5-oxohexan-2-yloxy)butan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide
CID 132223670
N-[3-(3,3-dimethyl-4-oxobutoxy)-3-methylbutyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
CID 134268869
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-(4-methyl-3-oxopentoxy)ethoxy]ethyl]propanamide
CID 139443289
3-(2,5-dioxopyrrol-1-yl)-N-[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]propanamide
CID 142495527
3-(2,5-dioxopyrrol-1-yl)-N-[2-[[3-(2-ethyl-2-methyl-4-oxopentoxy)-2,2-dimethylpropyl]amino]-2-oxoethoxy]propanamide
CID 142495554
3-(2,5-dioxopyrrol-1-yl)-N-[2-[2-[2-[2-methyl-1-(2,6,6-trimethyl-5-oxoheptan-2-yl)oxypropan-2-yl]oxyethoxy]ethoxy]ethyl]propanamide
CID 142572280

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 123359777) is N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(=O)C(C)(C)CCOC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is KPPMZBXLNYVMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-13(21)17(2,3)9-11-25-18(4,5)12-19-14(22)8-10-20-15(23)6-7-16(20)24/h6-7H,8-12H2,1-5H3,(H,19,22).
What are the key properties of N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 352.43 g/mol, XLogP of 1.22, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-dimethyl-4-oxopentoxy)-2-methylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 123359777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).