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

C19H30N4O7 — CID 41295179

IUPAC[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCCOCCCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C19H30N4O7/c1-3-29-10-6-9-20-17(27)21-14(24)12-30-15(25)11-23-16(26)19(22-18(23)28)8-5-4-7-13(19)2/h13H,3-12H2,1-2H3,(H,22,28)(H2,20,21,24,27)/t13-,19+/m1/s1
InChIKeySTPGRSKXBZMCAU-YJYMSZOUSA-N
MW426.47 g/mol
LogP0.28
Rot. Bonds9

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

[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (PubChem CID 41295179) has the molecular formula C19H30N4O7 and a molecular weight of 426.47 g/mol. Its IUPAC name is [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.

Molecular Properties

Compound Name[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
PubChem CID41295179
Molecular FormulaC19H30N4O7
Molecular Weight426.47 g/mol
Exact Mass426.21
IUPAC Name[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
SMILESCCOCCCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O
InChIInChI=1S/C19H30N4O7/c1-3-29-10-6-9-20-17(27)21-14(24)12-30-15(25)11-23-16(26)19(22-18(23)28)8-5-4-7-13(19)2/h13H,3-12H2,1-2H3,(H,22,28)(H2,20,21,24,27)/t13-,19+/m1/s1
InChIKeySTPGRSKXBZMCAU-YJYMSZOUSA-N
XLogP0.28
TPSA143.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-(butylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11919519
[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9072583
[2-(cyclopropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955213
[2-(2-methylpropylamino)-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469634
[2-(2-cyanoethylamino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955355
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7986737
2-oxopropyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955763
[2-(dimethylamino)-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955397
[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11906098
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469751
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl] 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 11936314
[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9072276

Frequently Asked Questions

What is the IUPAC name of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The IUPAC name of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate (CID 41295179) is [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate.
What is the SMILES notation for [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The canonical SMILES for [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is CCOCCCNC(=O)NC(=O)COC(=O)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O.
What is the InChIKey of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
The InChIKey is STPGRSKXBZMCAU-YJYMSZOUSA-N. The full InChI is InChI=1S/C19H30N4O7/c1-3-29-10-6-9-20-17(27)21-14(24)12-30-15(25)11-23-16(26)19(22-18(23)28)8-5-4-7-13(19)2/h13H,3-12H2,1-2H3,(H,22,28)(H2,20,21,24,27)/t13-,19+/m1/s1.
What are the key properties of [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate?
[2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate has a molecular weight of 426.47 g/mol, XLogP of 0.28, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-ethoxypropylcarbamoylamino)-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate is sourced from PubChem (CID 41295179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).