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

C19H23Cl2N3O3 — CID 78727003

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C19H23Cl2N3O3/c1-12-5-3-4-8-19(12)17(26)24(18(27)22-19)11-16(25)23(2)10-13-6-7-14(20)15(21)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,27)
InChIKeyCRLDKBQKSXMWDN-UHFFFAOYSA-N
MW412.32 g/mol
LogP3.45
Rot. Bonds4

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

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 78727003) has the molecular formula C19H23Cl2N3O3 and a molecular weight of 412.32 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID78727003
Molecular FormulaC19H23Cl2N3O3
Molecular Weight412.32 g/mol
Exact Mass411.11
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCCCC12NC(=O)N(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C2=O
InChIInChI=1S/C19H23Cl2N3O3/c1-12-5-3-4-8-19(12)17(26)24(18(27)22-19)11-16(25)23(2)10-13-6-7-14(20)15(21)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,27)
InChIKeyCRLDKBQKSXMWDN-UHFFFAOYSA-N
XLogP3.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.32
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8571645
N-methyl-4-[[methyl-[2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetyl]amino]methyl]benzamide
CID 8965953
N-cyclopropyl-4-[[methyl-[2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]benzamide
CID 46565904
N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 40881449
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8943432
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 9071403
N-methyl-2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135625053
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55861144
N-ethyl-N-[(3-fluorophenyl)methyl]-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 51189981
[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7955970
N-methyl-2-[(5S,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 51597949

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 78727003) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCCCC12NC(=O)N(CC(=O)N(C)Cc1ccc(Cl)c(Cl)c1)C2=O.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is CRLDKBQKSXMWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O3/c1-12-5-3-4-8-19(12)17(26)24(18(27)22-19)11-16(25)23(2)10-13-6-7-14(20)15(21)9-13/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,22,27).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 412.32 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 78727003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).