N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide

C21H28Cl2N4O3 — CID 26003719

IUPACN-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C21H28Cl2N4O3/c1-3-10-26(12-18(28)24-17-11-15(22)7-8-16(17)23)13-27-19(29)21(25-20(27)30)9-5-4-6-14(21)2/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,24,28)(H,25,30)/t14-,21+/m0/s1
InChIKeyAXEANCAHYITWPK-LHSJRXKWSA-N
MW455.39 g/mol
LogP4.10
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide

N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide (PubChem CID 26003719) has the molecular formula C21H28Cl2N4O3 and a molecular weight of 455.39 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide
PubChem CID26003719
Molecular FormulaC21H28Cl2N4O3
Molecular Weight455.39 g/mol
Exact Mass454.15
IUPAC NameN-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O
InChIInChI=1S/C21H28Cl2N4O3/c1-3-10-26(12-18(28)24-17-11-15(22)7-8-16(17)23)13-27-19(29)21(25-20(27)30)9-5-4-6-14(21)2/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,24,28)(H,25,30)/t14-,21+/m0/s1
InChIKeyAXEANCAHYITWPK-LHSJRXKWSA-N
XLogP4.10
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.39
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide (CID 26003719) is N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide?
The InChIKey is AXEANCAHYITWPK-LHSJRXKWSA-N. The full InChI is InChI=1S/C21H28Cl2N4O3/c1-3-10-26(12-18(28)24-17-11-15(22)7-8-16(17)23)13-27-19(29)21(25-20(27)30)9-5-4-6-14(21)2/h7-8,11,14H,3-6,9-10,12-13H2,1-2H3,(H,24,28)(H,25,30)/t14-,21+/m0/s1.
What are the key properties of N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide has a molecular weight of 455.39 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-[[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]methyl-propylamino]acetamide is sourced from PubChem (CID 26003719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).