N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 55369492) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name	N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID	55369492
Molecular Formula	C26H36N4O5
Molecular Weight	484.60 g/mol
Exact Mass	484.27
IUPAC Name	N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILES	Cc1cccc(NC(=O)CN(CC2CCCO2)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C
InChI	InChI=1S/C26H36N4O5/c1-18-9-7-11-21(19(18)2)27-22(31)16-29(15-20-10-8-14-35-20)23(32)17-30-24(33)26(28(3)25(30)34)12-5-4-6-13-26/h7,9,11,20H,4-6,8,10,12-17H2,1-3H3,(H,27,31)
InChIKey	SVFDJNCPWGINGA-UHFFFAOYSA-N
XLogP	2.85
TPSA	99.26 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	7
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?

The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 55369492) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide.

What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?

The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide is Cc1cccc(NC(=O)CN(CC2CCCO2)C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)c1C.

What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?

The InChIKey is SVFDJNCPWGINGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-18-9-7-11-21(19(18)2)27-22(31)16-29(15-20-10-8-14-35-20)23(32)17-30-24(33)26(28(3)25(30)34)12-5-4-6-13-26/h7,9,11,20H,4-6,8,10,12-17H2,1-3H3,(H,27,31).

What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 484.60 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(1-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 55369492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).