N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

C26H29N3O4 — CID 69415673

IUPACN-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCCC1=NC(=O)N(C2CCC(CNC(=O)c3ccccc3OC)(c3ccccc3)CC2)C1=O
InChIInChI=1S/C26H29N3O4/c1-3-21-24(31)29(25(32)28-21)19-13-15-26(16-14-19,18-9-5-4-6-10-18)17-27-23(30)20-11-7-8-12-22(20)33-2/h4-12,19H,3,13-17H2,1-2H3,(H,27,30)
InChIKeyAMTWJSSGSYOWCP-UHFFFAOYSA-N
MW447.54 g/mol
LogP4.12
Rot. Bonds7

About N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide

N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (PubChem CID 69415673) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
PubChem CID69415673
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC NameN-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
SMILESCCC1=NC(=O)N(C2CCC(CNC(=O)c3ccccc3OC)(c3ccccc3)CC2)C1=O
InChIInChI=1S/C26H29N3O4/c1-3-21-24(31)29(25(32)28-21)19-13-15-26(16-14-19,18-9-5-4-6-10-18)17-27-23(30)20-11-7-8-12-22(20)33-2/h4-12,19H,3,13-17H2,1-2H3,(H,27,30)
InChIKeyAMTWJSSGSYOWCP-UHFFFAOYSA-N
XLogP4.12
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-ethyl-2,5-dioxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide
CID 58842307
2-methoxy-N-[[4-(2-oxoimidazolidin-1-yl)-1-phenylcyclohexyl]methyl]benzamide
CID 58842622
N-[(4-ethyl-1-phenylcyclohexyl)methyl]-2-methoxybenzamide
CID 142271522
2-methoxy-N-[[4-(2-methoxyethylamino)-1-phenylcyclohexyl]methyl]benzamide
CID 58842305
methyl 4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylpiperidine-1-carboxylate
CID 20694798
2-methoxy-N-[(4-methylidene-1-phenylcyclohexyl)methyl]benzamide
CID 18009445
2-methoxy-N-[[1-phenyl-4-(pyridin-2-ylmethylamino)cyclohexyl]methyl]benzamide
CID 70829537
3-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]propyl propanoate
CID 20596135
N-[[1-(N'-cyclopropyl-N-methylsulfonylcarbamimidoyl)-4-phenylpiperidin-4-yl]methyl]-2-methoxybenzamide
CID 23600905
[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl] N-(4-methoxybutyl)carbamate
CID 20596159
propan-2-yl N-[2-[[4-[[(2-methoxybenzoyl)amino]methyl]-4-phenylcyclohexyl]oxycarbonylamino]ethyl]carbamate
CID 20596182
N-[[(3aS,5R)-3-methoxy-5-phenyl-4,6,7,7a-tetrahydro-3aH-1,2-benzoxazol-5-yl]methyl]-2-methoxybenzamide
CID 11668360

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide (CID 69415673) is N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is CCC1=NC(=O)N(C2CCC(CNC(=O)c3ccccc3OC)(c3ccccc3)CC2)C1=O.
What is the InChIKey of N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
The InChIKey is AMTWJSSGSYOWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-3-21-24(31)29(25(32)28-21)19-13-15-26(16-14-19,18-9-5-4-6-10-18)17-27-23(30)20-11-7-8-12-22(20)33-2/h4-12,19H,3,13-17H2,1-2H3,(H,27,30).
What are the key properties of N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide?
N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide has a molecular weight of 447.54 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethyl-2,5-dioxoimidazol-1-yl)-1-phenylcyclohexyl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 69415673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).