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

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

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 7480477) has the molecular formula C21H33N3O5 and a molecular weight of 407.51 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name	[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID	7480477
Molecular Formula	C21H33N3O5
Molecular Weight	407.51 g/mol
Exact Mass	407.24
IUPAC Name	[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILES	CCN(C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C1CCCCC1
InChI	InChI=1S/C21H33N3O5/c1-3-23(16-10-5-4-6-11-16)17(25)14-29-18(26)13-24-19(27)21(22-20(24)28)12-8-7-9-15(21)2/h15-16H,3-14H2,1-2H3,(H,22,28)/t15-,21+/m0/s1
InChIKey	DDBIWSPPATUHPI-YCRPNKLZSA-N
XLogP	2.21
TPSA	96.02 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	6
Heavy Atoms	29
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.51
LogP ≤ 5	2.21
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 [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 7480477) is [2-[cyclohexyl(ethyl)amino]-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-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?

The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is CCN(C(=O)COC(=O)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O)C1CCCCC1.

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

The InChIKey is DDBIWSPPATUHPI-YCRPNKLZSA-N. The full InChI is InChI=1S/C21H33N3O5/c1-3-23(16-10-5-4-6-11-16)17(25)14-29-18(26)13-24-19(27)21(22-20(24)28)12-8-7-9-15(21)2/h15-16H,3-14H2,1-2H3,(H,22,28)/t15-,21+/m0/s1.

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

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 407.51 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 7480477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).