phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate

C25H30N4O4 — CID 23884026

IUPACphenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
SMILESCc1cccc(C(=O)N2CCN(C(=O)Oc3ccccc3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C25H30N4O4/c1-17-6-5-7-18(16-17)24(31)28-14-15-29(25(32)33-21-8-3-2-4-9-21)23(28)22(30)27-20-12-10-19(26)11-13-20/h2-9,16,19-20,23H,10-15,26H2,1H3,(H,27,30)
InChIKeyGVOHDWLIIMDPLN-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.66
Rot. Bonds4

About phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate

phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate (PubChem CID 23884026) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
PubChem CID23884026
Molecular FormulaC25H30N4O4
Molecular Weight450.54 g/mol
Exact Mass450.23
IUPAC Namephenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
SMILESCc1cccc(C(=O)N2CCN(C(=O)Oc3ccccc3)C2C(=O)NC2CCC(N)CC2)c1
InChIInChI=1S/C25H30N4O4/c1-17-6-5-7-18(16-17)24(31)28-14-15-29(25(32)33-21-8-3-2-4-9-21)23(28)22(30)27-20-12-10-19(26)11-13-20/h2-9,16,19-20,23H,10-15,26H2,1H3,(H,27,30)
InChIKeyGVOHDWLIIMDPLN-UHFFFAOYSA-N
XLogP2.66
TPSA104.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23740092
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide
CID 23883208
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23937280
N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
CID 23903155
N-(4-aminocyclohexyl)-1-(3-methoxybenzoyl)-3-propylsulfonylimidazolidine-2-carboxamide
CID 23821148
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-methylsulfonyl-1,3-diazinane-2-carboxamide
CID 23769733
N-(4-aminocyclohexyl)-1-(3-chloro-4-fluorophenyl)sulfonyl-3-(3-methylbenzoyl)-1,3-diazinane-2-carboxamide
CID 23765869
phenyl 2-[[3-(aminomethyl)phenyl]methylcarbamoyl]-3-(3-methoxybenzoyl)imidazolidine-1-carboxylate
CID 23968268
2-N-(4-aminocyclohexyl)-3-(3,4-dimethylbenzoyl)-1-N-(4-methoxyphenyl)imidazolidine-1,2-dicarboxamide
CID 23876492
N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)-1,3-diazinane-2-carboxamide
CID 23879217
2-N-(4-aminocyclohexyl)-3-[2-(4-methoxyphenyl)acetyl]-1-N-(3-methylphenyl)imidazolidine-1,2-dicarboxamide
CID 23771261

Frequently Asked Questions

What is the IUPAC name of phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate?
The IUPAC name of phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate (CID 23884026) is phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate.
What is the SMILES notation for phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate?
The canonical SMILES for phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate is Cc1cccc(C(=O)N2CCN(C(=O)Oc3ccccc3)C2C(=O)NC2CCC(N)CC2)c1.
What is the InChIKey of phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate?
The InChIKey is GVOHDWLIIMDPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-17-6-5-7-18(16-17)24(31)28-14-15-29(25(32)33-21-8-3-2-4-9-21)23(28)22(30)27-20-12-10-19(26)11-13-20/h2-9,16,19-20,23H,10-15,26H2,1H3,(H,27,30).
What are the key properties of phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate?
phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate has a molecular weight of 450.54 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate is sourced from PubChem (CID 23884026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).