N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

C25H32N4O2 — CID 166062066

IUPACN-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC1(C)CCC(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)N4)cc3)cc2)CC1
InChIInChI=1S/C25H32N4O2/c1-25(2)13-11-19(12-14-25)18-5-9-21(10-6-18)28-20-7-3-17(4-8-20)15-26-23(30)22-16-27-24(31)29-22/h3-10,19,22,28H,11-16H2,1-2H3,(H,26,30)(H2,27,29,31)
InChIKeyJCRUWIXLWGNOCO-UHFFFAOYSA-N
MW420.56 g/mol
LogP4.41
Rot. Bonds6

About N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide

N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 166062066) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID166062066
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESCC1(C)CCC(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)N4)cc3)cc2)CC1
InChIInChI=1S/C25H32N4O2/c1-25(2)13-11-19(12-14-25)18-5-9-21(10-6-18)28-20-7-3-17(4-8-20)15-26-23(30)22-16-27-24(31)29-22/h3-10,19,22,28H,11-16H2,1-2H3,(H,26,30)(H2,27,29,31)
InChIKeyJCRUWIXLWGNOCO-UHFFFAOYSA-N
XLogP4.41
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-cyclohexylanilino)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062569
N-[[4-[4-(4-methylpiperidin-1-yl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166062307
2-oxo-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]imidazolidine-4-carboxamide
CID 71877710
N-[(3-bromo-5-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877841
(4R)-2-oxo-N-[[3-(phenoxymethyl)phenyl]methyl]imidazolidine-4-carboxamide
CID 97082817
N-[[1-(2-methoxyphenyl)cyclopropyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 71877790
(4S)-N-but-2-ynyl-2-oxoimidazolidine-4-carboxamide
CID 130677444
(4S)-N-[(2R)-2-hydroxypropyl]-2-oxoimidazolidine-4-carboxamide
CID 131209001
(4S)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97092560
N-[[4-[4-(diethylamino)anilino]phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 166062467
methyl 4-[[(5-oxopiperazine-2-carbonyl)amino]methyl]benzoate
CID 107435812
(4R)-N-[[3-[[(2R)-2-methylmorpholin-4-yl]methyl]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 98798763

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 166062066) is N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is CC1(C)CCC(c2ccc(Nc3ccc(CNC(=O)C4CNC(=O)N4)cc3)cc2)CC1.
What is the InChIKey of N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is JCRUWIXLWGNOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-25(2)13-11-19(12-14-25)18-5-9-21(10-6-18)28-20-7-3-17(4-8-20)15-26-23(30)22-16-27-24(31)29-22/h3-10,19,22,28H,11-16H2,1-2H3,(H,26,30)(H2,27,29,31).
What are the key properties of N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide?
N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 4.41, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(4,4-dimethylcyclohexyl)anilino]phenyl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 166062066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).