3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C24H37N3O4 — CID 45192585

IUPAC3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCC(CC)CN1CCC(C2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1
InChIInChI=1S/C24H37N3O4/c1-6-17(7-2)15-26-13-11-19(12-14-26)24(3)22(28)27(23(29)25-24)16-18-9-8-10-20(30-4)21(18)31-5/h8-10,17,19H,6-7,11-16H2,1-5H3,(H,25,29)
InChIKeyNKCFBDNHBFXYGP-UHFFFAOYSA-N
MW431.58 g/mol
LogP3.66
Rot. Bonds9

About 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione

3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 45192585) has the molecular formula C24H37N3O4 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID45192585
Molecular FormulaC24H37N3O4
Molecular Weight431.58 g/mol
Exact Mass431.28
IUPAC Name3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCCC(CC)CN1CCC(C2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1
InChIInChI=1S/C24H37N3O4/c1-6-17(7-2)15-26-13-11-19(12-14-26)24(3)22(28)27(23(29)25-24)16-18-9-8-10-20(30-4)21(18)31-5/h8-10,17,19H,6-7,11-16H2,1-5H3,(H,25,29)
InChIKeyNKCFBDNHBFXYGP-UHFFFAOYSA-N
XLogP3.66
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 53.66
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

5-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperidin-4-yl]-3-[(2,3-dimethoxyphenyl)methyl]-5-methylimidazolidine-2,4-dione
CID 45166286
3-[(2,3-dimethoxyphenyl)methyl]-5-methyl-5-[1-(2-methylpyridine-3-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45175375
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45187506
5-cyclopropyl-5-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 84601768
(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42331802
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42452710
1-[(2,3-dimethoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 113281872
N-[(2,3-dimethoxyphenyl)methyl]-1-propylpiperidin-4-amine
CID 28718160
1-[(2,3-dimethoxyphenyl)methyl]-N,N-diethylpiperidine-4-carboxamide
CID 1076473

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 45192585) is 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is CCC(CC)CN1CCC(C2(C)NC(=O)N(Cc3cccc(OC)c3OC)C2=O)CC1.
What is the InChIKey of 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is NKCFBDNHBFXYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O4/c1-6-17(7-2)15-26-13-11-19(12-14-26)24(3)22(28)27(23(29)25-24)16-18-9-8-10-20(30-4)21(18)31-5/h8-10,17,19H,6-7,11-16H2,1-5H3,(H,25,29).
What are the key properties of 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 431.58 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethoxyphenyl)methyl]-5-[1-(2-ethylbutyl)piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45192585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).