[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

About [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 7955254) has the molecular formula C20H24ClN3O5 and a molecular weight of 421.88 g/mol. Its IUPAC name is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name	[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID	7955254
Molecular Formula	C20H24ClN3O5
Molecular Weight	421.88 g/mol
Exact Mass	421.14
IUPAC Name	[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILES	C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NCc1cccc(Cl)c1)C2=O
InChI	InChI=1S/C20H24ClN3O5/c1-13-5-2-3-8-20(13)18(27)24(19(28)23-20)11-17(26)29-12-16(25)22-10-14-6-4-7-15(21)9-14/h4,6-7,9,13H,2-3,5,8,10-12H2,1H3,(H,22,25)(H,23,28)/t13-,20+/m0/s1
InChIKey	KXCSRUHLEQSQMG-RNODOKPDSA-N
XLogP	2.00
TPSA	104.81 Å²
H-Bond Donors	2
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.88
LogP ≤ 5	2.00
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 [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 7955254) is [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

What is the SMILES notation for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is C[C@H]1CCCC[C@@]12NC(=O)N(CC(=O)OCC(=O)NCc1cccc(Cl)c1)C2=O.

What is the InChIKey of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The InChIKey is KXCSRUHLEQSQMG-RNODOKPDSA-N. The full InChI is InChI=1S/C20H24ClN3O5/c1-13-5-2-3-8-20(13)18(27)24(19(28)23-20)11-17(26)29-12-16(25)22-10-14-6-4-7-15(21)9-14/h4,6-7,9,13H,2-3,5,8,10-12H2,1H3,(H,22,25)(H,23,28)/t13-,20+/m0/s1.

What are the key properties of [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 421.88 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 7955254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).