2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide

C27H35N5O4 — CID 23771261

IUPAC2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)Nc3cccc(C)c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C27H35N5O4/c1-18-4-3-5-22(16-18)30-27(35)32-15-14-31(24(33)17-19-6-12-23(36-2)13-7-19)26(32)25(34)29-21-10-8-20(28)9-11-21/h3-7,12-13,16,20-21,26H,8-11,14-15,17,28H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyYQXFBUTVBXNKNJ-UHFFFAOYSA-N
MW493.61 g/mol
LogP2.63
Rot. Bonds6

About 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23771261) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
PubChem CID23771261
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(CC(=O)N2CCN(C(=O)Nc3cccc(C)c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C27H35N5O4/c1-18-4-3-5-22(16-18)30-27(35)32-15-14-31(24(33)17-19-6-12-23(36-2)13-7-19)26(32)25(34)29-21-10-8-20(28)9-11-21/h3-7,12-13,16,20-21,26H,8-11,14-15,17,28H2,1-2H3,(H,29,34)(H,30,35)
InChIKeyYQXFBUTVBXNKNJ-UHFFFAOYSA-N
XLogP2.63
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
CID 23936832
2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23993327
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-[2-(4-methoxyphenyl)acetyl]-1,3-diazinane-2-carboxamide
CID 23761700
2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23876492
2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
CID 23764104
2-N-(4-aminocyclohexyl)-1-N-(3-fluorophenyl)-3-(2-thiophen-2-ylacetyl)imidazolidine-1,2-dicarboxamide
CID 23761481
2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23828128
2-N-(4-aminocyclohexyl)-1-N-(3-methylphenyl)-3-(pyridine-3-carbonyl)-1,3-diazinane-1,2-dicarboxamide
CID 23941237
N-(4-aminocyclohexyl)-1-(3,4-dichlorophenyl)sulfonyl-3-[2-(4-methoxyphenyl)acetyl]-1,3-diazinane-2-carboxamide
CID 23823527
2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23994221
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide
CID 23883208
4-[(4-methoxyphenyl)methyl]-N-(3-methylphenyl)piperazine-1-carboxamide
CID 17184547

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide (CID 23771261) is 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide is COc1ccc(CC(=O)N2CCN(C(=O)Nc3cccc(C)c3)C2C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is YQXFBUTVBXNKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-18-4-3-5-22(16-18)30-27(35)32-15-14-31(24(33)17-19-6-12-23(36-2)13-7-19)26(32)25(34)29-21-10-8-20(28)9-11-21/h3-7,12-13,16,20-21,26H,8-11,14-15,17,28H2,1-2H3,(H,29,34)(H,30,35).
What are the key properties of 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 493.61 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23771261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).