N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

About N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 23972707) has the molecular formula C26H31N3O4 and a molecular weight of 449.55 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name	N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID	23972707
Molecular Formula	C26H31N3O4
Molecular Weight	449.55 g/mol
Exact Mass	449.23
IUPAC Name	N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILES	CCOc1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)C3C(C)(C)C3(C)C)C2=O)cc1
InChI	InChI=1S/C26H31N3O4/c1-6-33-19-11-9-18(10-12-19)29-21(30)14-20(23(29)31)28(16-17-8-7-13-27-15-17)24(32)22-25(2,3)26(22,4)5/h7-13,15,20,22H,6,14,16H2,1-5H3
InChIKey	DHWNBLKYYTYIKU-UHFFFAOYSA-N
XLogP	3.82
TPSA	79.81 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	33
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.55
LogP ≤ 5	3.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 23972707) is N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is CCOc1ccc(N2C(=O)CC(N(Cc3cccnc3)C(=O)C3C(C)(C)C3(C)C)C2=O)cc1.

What is the InChIKey of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?

The InChIKey is DHWNBLKYYTYIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O4/c1-6-33-19-11-9-18(10-12-19)29-21(30)14-20(23(29)31)28(16-17-8-7-13-27-15-17)24(32)22-25(2,3)26(22,4)5/h7-13,15,20,22H,6,14,16H2,1-5H3.

What are the key properties of N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?

N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 449.55 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-2,2,3,3-tetramethyl-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 23972707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).