methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate

C23H26N2O4 — CID 109150498

IUPACmethyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-15-3-11-19(12-4-15)24-21(26)16-5-7-17(8-6-16)22(27)25-20-13-9-18(10-14-20)23(28)29-2/h3-4,9-14,16-17H,5-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZLMLKACYRYTROH-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.17
Rot. Bonds5

About methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate

methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate (PubChem CID 109150498) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
PubChem CID109150498
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Namemethyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1
InChIInChI=1S/C23H26N2O4/c1-15-3-11-19(12-4-15)24-21(26)16-5-7-17(8-6-16)22(27)25-20-13-9-18(10-14-20)23(28)29-2/h3-4,9-14,16-17H,5-8H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyZLMLKACYRYTROH-UHFFFAOYSA-N
XLogP4.17
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
methyl 4-[[4-(azepane-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109150256
methyl 4-[[4-(piperidine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109146046
methyl 4-[(3-aminocyclopentanecarbonyl)amino]benzoate;hydrochloride
CID 119671365
methyl 4-[[[4-(cyclohexanecarbonylamino)benzoyl]amino]carbamoyl]benzoate
CID 17178384
methyl 4-[[4-(4-methylpiperazine-1-carbonyl)cyclohexanecarbonyl]amino]benzoate
CID 109147465
methyl 4-[[4-[(3-fluorophenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109151109
[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
methyl 4-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
methyl 4-[[1-[(3-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007013

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate (CID 109150498) is methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCC(C(=O)Nc3ccc(C)cc3)CC2)cc1.
What is the InChIKey of methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate?
The InChIKey is ZLMLKACYRYTROH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-3-11-19(12-4-15)24-21(26)16-5-7-17(8-6-16)22(27)25-20-13-9-18(10-14-20)23(28)29-2/h3-4,9-14,16-17H,5-8H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate?
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate has a molecular weight of 394.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate is sourced from PubChem (CID 109150498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).