N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C22H31N3O5 — CID 9401096

IUPACN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14-6-8-22(9-7-14)20(27)25(21(28)23-22)13-19(26)24(3)12-16-11-18(30-5)17(29-4)10-15(16)2/h10-11,14H,6-9,12-13H2,1-5H3,(H,23,28)
InChIKeyHIIYBHPNPYYEAX-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.47
Rot. Bonds6

About N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 9401096) has the molecular formula C22H31N3O5 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID9401096
Molecular FormulaC22H31N3O5
Molecular Weight417.51 g/mol
Exact Mass417.23
IUPAC NameN-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCOc1cc(C)c(CN(C)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC
InChIInChI=1S/C22H31N3O5/c1-14-6-8-22(9-7-14)20(27)25(21(28)23-22)13-19(26)24(3)12-16-11-18(30-5)17(29-4)10-15(16)2/h10-11,14H,6-9,12-13H2,1-5H3,(H,23,28)
InChIKeyHIIYBHPNPYYEAX-UHFFFAOYSA-N
XLogP2.47
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9400930
N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 34430725
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7170093
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)-N-methylacetamide
CID 9341899
[2-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-oxoethyl] 2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 46608301
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
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylacetamide
CID 17406007
2-amino-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 115151637
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388
(5S,6S)-3-[[(4,5-dimethoxy-2-methylphenyl)methyl-methylamino]methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 11938004
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 9401096) is N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is COc1cc(C)c(CN(C)C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1OC.
What is the InChIKey of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is HIIYBHPNPYYEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O5/c1-14-6-8-22(9-7-14)20(27)25(21(28)23-22)13-19(26)24(3)12-16-11-18(30-5)17(29-4)10-15(16)2/h10-11,14H,6-9,12-13H2,1-5H3,(H,23,28).
What are the key properties of N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 417.51 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methyl-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 9401096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).