3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide

C22H25N5O5 — CID 56501849

IUPAC3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide
SMILESCOc1cccc(C2(C)NC(=O)N(NC(=O)CN(C)Cc3cccc(C(N)=O)c3)C2=O)c1
InChIInChI=1S/C22H25N5O5/c1-22(16-8-5-9-17(11-16)32-3)20(30)27(21(31)24-22)25-18(28)13-26(2)12-14-6-4-7-15(10-14)19(23)29/h4-11H,12-13H2,1-3H3,(H2,23,29)(H,24,31)(H,25,28)
InChIKeyRKJSMLUICAGQEX-UHFFFAOYSA-N
MW439.47 g/mol
LogP0.72
Rot. Bonds8

About 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide

3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide (PubChem CID 56501849) has the molecular formula C22H25N5O5 and a molecular weight of 439.47 g/mol. Its IUPAC name is 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide
PubChem CID56501849
Molecular FormulaC22H25N5O5
Molecular Weight439.47 g/mol
Exact Mass439.19
IUPAC Name3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide
SMILESCOc1cccc(C2(C)NC(=O)N(NC(=O)CN(C)Cc3cccc(C(N)=O)c3)C2=O)c1
InChIInChI=1S/C22H25N5O5/c1-22(16-8-5-9-17(11-16)32-3)20(30)27(21(31)24-22)25-18(28)13-26(2)12-14-6-4-7-15(10-14)19(23)29/h4-11H,12-13H2,1-3H3,(H2,23,29)(H,24,31)(H,25,28)
InChIKeyRKJSMLUICAGQEX-UHFFFAOYSA-N
XLogP0.72
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 8789179
2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55437036
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-[methyl(naphthalen-2-ylmethyl)amino]acetamide
CID 8599891
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
CID 167773553
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 24566301
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55499875
2-[(4-ethylphenyl)methyl-methylamino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8794419
(3-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8788750
2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 8924194
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(4S)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41118340

Frequently Asked Questions

What is the IUPAC name of 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide?
The IUPAC name of 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide (CID 56501849) is 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide is COc1cccc(C2(C)NC(=O)N(NC(=O)CN(C)Cc3cccc(C(N)=O)c3)C2=O)c1.
What is the InChIKey of 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide?
The InChIKey is RKJSMLUICAGQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5/c1-22(16-8-5-9-17(11-16)32-3)20(30)27(21(31)24-22)25-18(28)13-26(2)12-14-6-4-7-15(10-14)19(23)29/h4-11H,12-13H2,1-3H3,(H2,23,29)(H,24,31)(H,25,28).
What are the key properties of 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide?
3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide has a molecular weight of 439.47 g/mol, XLogP of 0.72, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide is sourced from PubChem (CID 56501849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).