N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

About N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 46440230) has the molecular formula C22H29ClN4O4 and a molecular weight of 448.95 g/mol. Its IUPAC name is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name	N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID	46440230
Molecular Formula	C22H29ClN4O4
Molecular Weight	448.95 g/mol
Exact Mass	448.19
IUPAC Name	N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILES	CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1)C2=O
InChI	InChI=1S/C22H29ClN4O4/c1-14-9-21(2,3)13-22(10-14)19(30)27(20(31)25-22)12-18(29)26(4)11-17(28)24-16-7-5-6-15(23)8-16/h5-8,14H,9-13H2,1-4H3,(H,24,28)(H,25,31)
InChIKey	GSFBUIMZHGWKCJ-UHFFFAOYSA-N
XLogP	2.87
TPSA	98.82 Å²
H-Bond Donors	2
H-Bond Acceptors	4
Rotatable Bonds	5
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.95
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The IUPAC name of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 46440230) is N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

What is the SMILES notation for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The canonical SMILES for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1)C2=O.

What is the InChIKey of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

The InChIKey is GSFBUIMZHGWKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN4O4/c1-14-9-21(2,3)13-22(10-14)19(30)27(20(31)25-22)12-18(29)26(4)11-17(28)24-16-7-5-6-15(23)8-16/h5-8,14H,9-13H2,1-4H3,(H,24,28)(H,25,31).

What are the key properties of N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?

N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 448.95 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-chloroanilino)-2-oxoethyl]-N-methyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 46440230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).