3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide

C17H22N4O3 — CID 119728478

IUPAC3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC1(c2cccc(NC(=O)C3CCCC(N)C3)c2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O3/c1-17(15(23)20-16(24)21-17)11-5-3-7-13(9-11)19-14(22)10-4-2-6-12(18)8-10/h3,5,7,9-10,12H,2,4,6,8,18H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyQYTIUCJGJMQFMI-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.20
Rot. Bonds3

About 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide

3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide (PubChem CID 119728478) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide
PubChem CID119728478
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide
SMILESCC1(c2cccc(NC(=O)C3CCCC(N)C3)c2)NC(=O)NC1=O
InChIInChI=1S/C17H22N4O3/c1-17(15(23)20-16(24)21-17)11-5-3-7-13(9-11)19-14(22)10-4-2-6-12(18)8-10/h3,5,7,9-10,12H,2,4,6,8,18H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyQYTIUCJGJMQFMI-UHFFFAOYSA-N
XLogP1.20
TPSA113.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.20
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-(2,2-dimethylpropanoyl)-N-[3-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]phenyl]piperidine-4-carboxamide
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CID 119728470
3-amino-N-(3-cyanophenyl)cyclohexane-1-carboxamide
CID 63042853
3-amino-N-[3-(methylsulfinylmethyl)phenyl]cyclohexane-1-carboxamide
CID 119790385
3-amino-N-[3-(tert-butylsulfamoyl)phenyl]cyclohexane-1-carboxamide
CID 119688782
2-(methylamino)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]acetamide;hydrochloride
CID 119728481
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3-amino-N-(3-phenoxyphenyl)cyclohexane-1-carboxamide
CID 119673239
3-amino-N-[3-(methylsulfamoyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119731808
3-amino-N-(3-ethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119708471

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide (CID 119728478) is 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide is CC1(c2cccc(NC(=O)C3CCCC(N)C3)c2)NC(=O)NC1=O.
What is the InChIKey of 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide?
The InChIKey is QYTIUCJGJMQFMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(15(23)20-16(24)21-17)11-5-3-7-13(9-11)19-14(22)10-4-2-6-12(18)8-10/h3,5,7,9-10,12H,2,4,6,8,18H2,1H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide?
3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.20, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119728478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).