methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate

C28H30N2O4 — CID 22660798

IUPACmethyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CCCCC2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C28H30N2O4/c1-33-28(32)22-14-17-25(29-23-10-6-3-7-11-23)26(18-22)30-27(31)21-12-15-24(16-13-21)34-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,23,29H,3,6-7,10-11,19H2,1H3,(H,30,31)
InChIKeyFGMQUYBZRDJDPM-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.05
Rot. Bonds8

About methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate

methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate (PubChem CID 22660798) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate
PubChem CID22660798
Molecular FormulaC28H30N2O4
Molecular Weight458.56 g/mol
Exact Mass458.22
IUPAC Namemethyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC2CCCCC2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C28H30N2O4/c1-33-28(32)22-14-17-25(29-23-10-6-3-7-11-23)26(18-22)30-27(31)21-12-15-24(16-13-21)34-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,23,29H,3,6-7,10-11,19H2,1H3,(H,30,31)
InChIKeyFGMQUYBZRDJDPM-UHFFFAOYSA-N
XLogP6.05
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[[(4-phenylmethoxybenzoyl)amino]carbamoyl]benzoate
CID 17178415
methyl 3-cyclohexyl-2-(4-phenylmethoxyphenyl)-1H-indole-6-carboxylate
CID 59549050
methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 56576232
ethyl 3-(benzylamino)-4-(cyclohexylamino)benzoate
CID 71745064
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
N-cyclopropyl-4-methyl-2-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 154339440
methyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 11681743
methyl 4-[(4-cyclopentyloxybenzoyl)amino]-3-fluorobenzoate
CID 86891052
methyl 4-[(2-phenylmethoxyphenyl)carbamoyl]benzoate
CID 17178291
methyl 4-[[2-(cyclohexylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178227
methyl 4-(cyclopentylamino)-3-methylbenzoate
CID 43730521
methyl 4-[(4-cyclohexylphenoxy)methyl]benzoate
CID 925837

Frequently Asked Questions

What is the IUPAC name of methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate (CID 22660798) is methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate is COC(=O)c1ccc(NC2CCCCC2)c(NC(=O)c2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
The InChIKey is FGMQUYBZRDJDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-28(32)22-14-17-25(29-23-10-6-3-7-11-23)26(18-22)30-27(31)21-12-15-24(16-13-21)34-19-20-8-4-2-5-9-20/h2,4-5,8-9,12-18,23,29H,3,6-7,10-11,19H2,1H3,(H,30,31).
What are the key properties of methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate?
methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate has a molecular weight of 458.56 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(cyclohexylamino)-3-[(4-phenylmethoxybenzoyl)amino]benzoate is sourced from PubChem (CID 22660798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).