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

C19H30N2O5 — CID 123657752

IUPACN-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)CC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H30N2O5/c1-14(22)10-18(2,3)12-26-13-19(4,5)11-20-15(23)8-9-21-16(24)6-7-17(21)25/h6-7H,8-13H2,1-5H3,(H,20,23)
InChIKeyMXIKDHBBACMOOS-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.47
Rot. Bonds11

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

N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (PubChem CID 123657752) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
PubChem CID123657752
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC NameN-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide
SMILESCC(=O)CC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C19H30N2O5/c1-14(22)10-18(2,3)12-26-13-19(4,5)11-20-15(23)8-9-21-16(24)6-7-17(21)25/h6-7H,8-13H2,1-5H3,(H,20,23)
InChIKeyMXIKDHBBACMOOS-UHFFFAOYSA-N
XLogP1.47
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The IUPAC name of N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide (CID 123657752) is N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide.
What is the SMILES notation for N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The canonical SMILES for N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is CC(=O)CC(C)(C)COCC(C)(C)CNC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
The InChIKey is MXIKDHBBACMOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-14(22)10-18(2,3)12-26-13-19(4,5)11-20-15(23)8-9-21-16(24)6-7-17(21)25/h6-7H,8-13H2,1-5H3,(H,20,23).
What are the key properties of N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide?
N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide has a molecular weight of 366.46 g/mol, XLogP of 1.47, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2-dimethyl-4-oxopentoxy)-2,2-dimethylpropyl]-3-(2,5-dioxopyrrol-1-yl)propanamide is sourced from PubChem (CID 123657752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).