1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

C19H23N3O5 — CID 120544967

IUPAC1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(c2ccc(C(=O)NCC3(C(=O)O)CCCCC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C19H23N3O5/c1-18(15(24)21-17(27)22-18)13-7-5-12(6-8-13)14(23)20-11-19(16(25)26)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27)
InChIKeyGFAUUSCVDFDIAH-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.51
Rot. Bonds5

About 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid

1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120544967) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120544967
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCC1(c2ccc(C(=O)NCC3(C(=O)O)CCCCC3)cc2)NC(=O)NC1=O
InChIInChI=1S/C19H23N3O5/c1-18(15(24)21-17(27)22-18)13-7-5-12(6-8-13)14(23)20-11-19(16(25)26)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27)
InChIKeyGFAUUSCVDFDIAH-UHFFFAOYSA-N
XLogP1.51
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[(4-hydroxybenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445281
1-[[[4-(methylsulfamoyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543852
1-[[[4-(methylsulfonylmethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543837
1-[[[4-(aminomethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433634
1-[[[4-(methylsulfanylmethyl)benzoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432933
1-[[(4-morpholin-4-ylbenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544308
1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 113310740
1-[[(3,4-dihydroxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 107728192
1-[[(6-chloropyridine-3-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443369
1-[[(4-tert-butylbenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449901

Frequently Asked Questions

What is the IUPAC name of 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 120544967) is 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is CC1(c2ccc(C(=O)NCC3(C(=O)O)CCCCC3)cc2)NC(=O)NC1=O.
What is the InChIKey of 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is GFAUUSCVDFDIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-18(15(24)21-17(27)22-18)13-7-5-12(6-8-13)14(23)20-11-19(16(25)26)9-3-2-4-10-19/h5-8H,2-4,9-11H2,1H3,(H,20,23)(H,25,26)(H2,21,22,24,27).
What are the key properties of 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid?
1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 373.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[4-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120544967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).