N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-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-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 55331805) has the molecular formula C27H38N4O5 and a molecular weight of 498.62 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-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-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
PubChem CID	55331805
Molecular Formula	C27H38N4O5
Molecular Weight	498.62 g/mol
Exact Mass	498.28
IUPAC Name	N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide
SMILES	CCC1CCC2(CC1)NC(=O)N(CC(=O)N(CC(=O)Nc1cccc(C)c1C)CC1CCCO1)C2=O
InChI	InChI=1S/C27H38N4O5/c1-4-20-10-12-27(13-11-20)25(34)31(26(35)29-27)17-24(33)30(15-21-8-6-14-36-21)16-23(32)28-22-9-5-7-18(2)19(22)3/h5,7,9,20-21H,4,6,8,10-17H2,1-3H3,(H,28,32)(H,29,35)
InChIKey	UJDGUBOEIYAVND-UHFFFAOYSA-N
XLogP	3.14
TPSA	108.05 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	8
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.62
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	2
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-(8-ethyl-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-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide (CID 55331805) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-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-(8-ethyl-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-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide is CCC1CCC2(CC1)NC(=O)N(CC(=O)N(CC(=O)Nc1cccc(C)c1C)CC1CCCO1)C2=O.

What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?

The InChIKey is UJDGUBOEIYAVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O5/c1-4-20-10-12-27(13-11-20)25(34)31(26(35)29-27)17-24(33)30(15-21-8-6-14-36-21)16-23(32)28-22-9-5-7-18(2)19(22)3/h5,7,9,20-21H,4,6,8,10-17H2,1-3H3,(H,28,32)(H,29,35).

What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide?

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 498.62 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 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-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 55331805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).