2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide

C27H35N5O4 — CID 23876492

IUPAC2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C27H35N5O4/c1-17-4-5-19(16-18(17)2)26(34)31-14-15-32(27(35)30-22-10-12-23(36-3)13-11-22)25(31)24(33)29-21-8-6-20(28)7-9-21/h4-5,10-13,16,20-21,25H,6-9,14-15,28H2,1-3H3,(H,29,33)(H,30,35)
InChIKeyGYJDZHAYZUXNRC-UHFFFAOYSA-N
MW493.61 g/mol
LogP3.01
Rot. Bonds5

About 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide

2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide (PubChem CID 23876492) has the molecular formula C27H35N5O4 and a molecular weight of 493.61 g/mol. Its IUPAC name is 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
PubChem CID23876492
Molecular FormulaC27H35N5O4
Molecular Weight493.61 g/mol
Exact Mass493.27
IUPAC Name2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
SMILESCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)C2C(=O)NC2CCC(N)CC2)cc1
InChIInChI=1S/C27H35N5O4/c1-17-4-5-19(16-18(17)2)26(34)31-14-15-32(27(35)30-22-10-12-23(36-3)13-11-22)25(31)24(33)29-21-8-6-20(28)7-9-21/h4-5,10-13,16,20-21,25H,6-9,14-15,28H2,1-3H3,(H,29,33)(H,30,35)
InChIKeyGYJDZHAYZUXNRC-UHFFFAOYSA-N
XLogP3.01
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide with MolForge

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Related Compounds

2-N-(4-aminocyclohexyl)-3-(3,4-dichlorobenzoyl)-1-N-(4-methylphenyl)-1,3-diazinane-1,2-dicarboxamide
CID 23876800
2-N-(4-aminocyclohexyl)-3-[2-(4-chlorophenoxy)acetyl]-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23993327
2-N-(4-aminocyclohexyl)-1-N-(4-methoxyphenyl)-3-naphthalen-2-ylsulfonylimidazolidine-1,2-dicarboxamide
CID 23828128
2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23771261
2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
CID 23764104
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-[2-(4-methoxyphenyl)acetyl]-1,3-diazinane-2-carboxamide
CID 23761700
phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
CID 23884026
2-N-(2-aminoethyl)-1-N-(4-methoxyphenyl)-3-(pyridine-3-carbonyl)imidazolidine-1,2-dicarboxamide
CID 23932909
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-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide
CID 23821148
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-methylsulfonyl-1,3-diazinane-2-carboxamide
CID 23769733
2-[1-(3,4-dimethylbenzoyl)-3-oxopiperazin-2-yl]-N-(4-methoxyphenyl)acetamide
CID 2813215

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide (CID 23876492) is 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide is COc1ccc(NC(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)C2C(=O)NC2CCC(N)CC2)cc1.
What is the InChIKey of 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?
The InChIKey is GYJDZHAYZUXNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N5O4/c1-17-4-5-19(16-18(17)2)26(34)31-14-15-32(27(35)30-22-10-12-23(36-3)13-11-22)25(31)24(33)29-21-8-6-20(28)7-9-21/h4-5,10-13,16,20-21,25H,6-9,14-15,28H2,1-3H3,(H,29,33)(H,30,35).
What are the key properties of 2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide?
2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide has a molecular weight of 493.61 g/mol, XLogP of 3.01, 5 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-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide is sourced from PubChem (CID 23876492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).