2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C19H25ClN4O4 — CID 9136775

IUPAC2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H25ClN4O4/c1-23(11-13-10-14(20)6-7-15(13)28-2)12-16(25)22-24-17(26)19(21-18(24)27)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,27)(H,22,25)
InChIKeyUDMZESHQUBZCGM-UHFFFAOYSA-N
MW408.89 g/mol
LogP2.07
Rot. Bonds6

About 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 9136775) has the molecular formula C19H25ClN4O4 and a molecular weight of 408.89 g/mol. Its IUPAC name is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID9136775
Molecular FormulaC19H25ClN4O4
Molecular Weight408.89 g/mol
Exact Mass408.16
IUPAC Name2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1ccc(Cl)cc1CN(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C19H25ClN4O4/c1-23(11-13-10-14(20)6-7-15(13)28-2)12-16(25)22-24-17(26)19(21-18(24)27)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,27)(H,22,25)
InChIKeyUDMZESHQUBZCGM-UHFFFAOYSA-N
XLogP2.07
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 9136887
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55393685
methyl (2S)-2-(3,4-dichlorophenyl)-2-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylamino]acetate
CID 52513333
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-methylanilino)acetamide
CID 27056892
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
CID 8538402
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2-chloro-4-methylphenyl)acetamide
CID 9136429
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-methoxybenzoate
CID 7891326
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methoxy-5-nitrophenoxy)acetamide
CID 24557174
4-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]acetyl]spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one
CID 55470154

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 9136775) is 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1ccc(Cl)cc1CN(C)CC(=O)NN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UDMZESHQUBZCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O4/c1-23(11-13-10-14(20)6-7-15(13)28-2)12-16(25)22-24-17(26)19(21-18(24)27)8-4-3-5-9-19/h6-7,10H,3-5,8-9,11-12H2,1-2H3,(H,21,27)(H,22,25).
What are the key properties of 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 408.89 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 9136775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).