N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide

C19H24Cl2N4O3 — CID 4789849

IUPACN-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H24Cl2N4O3/c1-2-9-24(11-16(26)22-15-10-13(20)5-6-14(15)21)12-25-17(27)19(23-18(25)28)7-3-4-8-19/h5-6,10H,2-4,7-9,11-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyRCGWGILSAFTLME-UHFFFAOYSA-N
MW427.33 g/mol
LogP3.47
Rot. Bonds7

About N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide

N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide (PubChem CID 4789849) has the molecular formula C19H24Cl2N4O3 and a molecular weight of 427.33 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide
PubChem CID4789849
Molecular FormulaC19H24Cl2N4O3
Molecular Weight427.33 g/mol
Exact Mass426.12
IUPAC NameN-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)NC2(CCCC2)C1=O
InChIInChI=1S/C19H24Cl2N4O3/c1-2-9-24(11-16(26)22-15-10-13(20)5-6-14(15)21)12-25-17(27)19(23-18(25)28)7-3-4-8-19/h5-6,10H,2-4,7-9,11-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyRCGWGILSAFTLME-UHFFFAOYSA-N
XLogP3.47
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.33
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
N-(2,5-dichlorophenyl)-2-[(3-methylpyrrolidin-3-yl)methyl-propylamino]acetamide
CID 120902455
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(5-chloro-2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 3625247
N-(2,5-dichlorophenyl)-3-[[2-(methylamino)-2-oxoethyl]-propylamino]propanamide
CID 56792887
4-[[2-[[2-(2,5-dichloroanilino)-2-oxoethyl]-propylamino]acetyl]amino]benzamide
CID 2541352
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 42977412
N-(5-chloro-2-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 16552602
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide
CID 119929563
2-[(2-chloroacetyl)-propylamino]-N-(2,5-dichlorophenyl)acetamide
CID 2452334
N-(2,4-dichlorophenyl)-2-[piperidin-4-ylmethyl(propyl)amino]acetamide;hydrochloride
CID 119929562
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-methyl-N-propylbenzamide
CID 7696648

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide (CID 4789849) is N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CN1C(=O)NC2(CCCC2)C1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide?
The InChIKey is RCGWGILSAFTLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24Cl2N4O3/c1-2-9-24(11-16(26)22-15-10-13(20)5-6-14(15)21)12-25-17(27)19(23-18(25)28)7-3-4-8-19/h5-6,10H,2-4,7-9,11-12H2,1H3,(H,22,26)(H,23,28).
What are the key properties of N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide?
N-(2,5-dichlorophenyl)-2-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide has a molecular weight of 427.33 g/mol, XLogP of 3.47, 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-[(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)methyl-propylamino]acetamide is sourced from PubChem (CID 4789849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).