methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate

C24H30N2O4 — CID 67483542

IUPACmethyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc(CNc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-30-24(29)22(27)16-26-23(28)20-9-7-17(8-10-20)15-25-21-13-11-19(12-14-21)18-5-3-2-4-6-18/h7-14,18,22,25,27H,2-6,15-16H2,1H3,(H,26,28)
InChIKeyXXZLWLYFUPVHAM-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.61
Rot. Bonds8

About methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate

methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate (PubChem CID 67483542) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate
PubChem CID67483542
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate
SMILESCOC(=O)C(O)CNC(=O)c1ccc(CNc2ccc(C3CCCCC3)cc2)cc1
InChIInChI=1S/C24H30N2O4/c1-30-24(29)22(27)16-26-23(28)20-9-7-17(8-10-20)15-25-21-13-11-19(12-14-21)18-5-3-2-4-6-18/h7-14,18,22,25,27H,2-6,15-16H2,1H3,(H,26,28)
InChIKeyXXZLWLYFUPVHAM-UHFFFAOYSA-N
XLogP3.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate 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-cyclohexylphenyl)methylamino]benzoate
CID 67485130
methyl 4-[(4-cyclohexylanilino)methyl]benzoate;methyl 4-formylbenzoate
CID 87417840
N-(3-amino-2-methylpropyl)-4-cyclohexylbenzamide
CID 119995934
N-(2-amino-2-methylpropyl)-4-cyclohexylbenzamide;hydrochloride
CID 119625808
methyl 2-[(4-cyclopentylbenzoyl)amino]acetate
CID 110487395
methyl (2R)-3-benzamido-2-hydroxypropanoate
CID 100946416
methyl 2-[(4-cyclopentylbenzoyl)amino]propanoate
CID 110487402
ethyl 2-[(4-cyclohexylbenzoyl)amino]acetate
CID 60547206
methyl 2-hydroxy-3-[(4-propan-2-ylbenzoyl)amino]propanoate
CID 103879142
N-[4-[(4-cyclohexylanilino)methyl]phenyl]propane-2-sulfonamide
CID 70939271
(2R)-3-[[4-[[4-cyclohexyl-N-[[4-(trifluoromethyl)phenyl]carbamoyl]anilino]methyl]benzoyl]amino]-2-hydroxypropanoic acid
CID 162541288
2-[(4-cyclohexylbenzoyl)amino]acetic acid
CID 82485147

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate?
The IUPAC name of methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate (CID 67483542) is methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate.
What is the SMILES notation for methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate?
The canonical SMILES for methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate is COC(=O)C(O)CNC(=O)c1ccc(CNc2ccc(C3CCCCC3)cc2)cc1.
What is the InChIKey of methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate?
The InChIKey is XXZLWLYFUPVHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-30-24(29)22(27)16-26-23(28)20-9-7-17(8-10-20)15-25-21-13-11-19(12-14-21)18-5-3-2-4-6-18/h7-14,18,22,25,27H,2-6,15-16H2,1H3,(H,26,28).
What are the key properties of methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate?
methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate has a molecular weight of 410.51 g/mol, XLogP of 3.61, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-[(4-cyclohexylanilino)methyl]benzoyl]amino]-2-hydroxypropanoate is sourced from PubChem (CID 67483542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).