6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid

C17H21N3O6 — CID 167773553

IUPAC6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
SMILESCOc1cccc(C2(C)NC(=O)N(NC(=O)CCCCC(=O)O)C2=O)c1
InChIInChI=1S/C17H21N3O6/c1-17(11-6-5-7-12(10-11)26-2)15(24)20(16(25)18-17)19-13(21)8-3-4-9-14(22)23/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,25)(H,19,21)(H,22,23)
InChIKeyYSENKICXHZJOPY-UHFFFAOYSA-N
MW363.37 g/mol
LogP1.14
Rot. Bonds8

About 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid

6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid (PubChem CID 167773553) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
PubChem CID167773553
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid
SMILESCOc1cccc(C2(C)NC(=O)N(NC(=O)CCCCC(=O)O)C2=O)c1
InChIInChI=1S/C17H21N3O6/c1-17(11-6-5-7-12(10-11)26-2)15(24)20(16(25)18-17)19-13(21)8-3-4-9-14(22)23/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,25)(H,19,21)(H,22,23)
InChIKeyYSENKICXHZJOPY-UHFFFAOYSA-N
XLogP1.14
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)amino]-6-oxohexanoic acid
CID 167859701
2-(2-methoxyphenoxy)-N-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8503517
2-[4-[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55469957
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
2-(4-acetyl-1,4-diazepan-1-yl)-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55468897
2-[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55437036
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-prop-2-enylthiourea
CID 8788892
(3-methoxyphenyl)methyl-methyl-[2-[[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8788750
1-[(4R)-4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-3-propylthiourea
CID 8788971
N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
CID 56570097
3-[[[2-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]-methylamino]methyl]benzamide
CID 56501849
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55446242

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid?
The IUPAC name of 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid (CID 167773553) is 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid.
What is the SMILES notation for 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid?
The canonical SMILES for 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid is COc1cccc(C2(C)NC(=O)N(NC(=O)CCCCC(=O)O)C2=O)c1.
What is the InChIKey of 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid?
The InChIKey is YSENKICXHZJOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-17(11-6-5-7-12(10-11)26-2)15(24)20(16(25)18-17)19-13(21)8-3-4-9-14(22)23/h5-7,10H,3-4,8-9H2,1-2H3,(H,18,25)(H,19,21)(H,22,23).
What are the key properties of 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid?
6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid has a molecular weight of 363.37 g/mol, XLogP of 1.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-6-oxohexanoic acid is sourced from PubChem (CID 167773553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).