methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate

C24H30N2O4 — CID 23384194

IUPACmethyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccc(N)cc1)NC(=O)C1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C24H30N2O4/c1-29-20-12-8-18(9-13-20)24(14-4-3-5-15-24)23(28)26-21(22(27)30-2)16-17-6-10-19(25)11-7-17/h6-13,21H,3-5,14-16,25H2,1-2H3,(H,26,28)
InChIKeyDSRIDZSNPOIWKJ-UHFFFAOYSA-N
MW410.51 g/mol
LogP3.38
Rot. Bonds7

About methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate

methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate (PubChem CID 23384194) has the molecular formula C24H30N2O4 and a molecular weight of 410.51 g/mol. Its IUPAC name is methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate
PubChem CID23384194
Molecular FormulaC24H30N2O4
Molecular Weight410.51 g/mol
Exact Mass410.22
IUPAC Namemethyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccc(N)cc1)NC(=O)C1(c2ccc(OC)cc2)CCCCC1
InChIInChI=1S/C24H30N2O4/c1-29-20-12-8-18(9-13-20)24(14-4-3-5-15-24)23(28)26-21(22(27)30-2)16-17-6-10-19(25)11-7-17/h6-13,21H,3-5,14-16,25H2,1-2H3,(H,26,28)
InChIKeyDSRIDZSNPOIWKJ-UHFFFAOYSA-N
XLogP3.38
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate 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 (2S)-3-(4-aminophenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoate
CID 54536021
methyl 3-(4-aminophenyl)-2-[[1-[(4-methoxyphenyl)methyl]cyclopentanecarbonyl]amino]propanoate
CID 22660165
(2S)-3-(4-methoxyphenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoic acid
CID 54228911
methyl (2S)-2-amino-3-(4-nitrophenyl)propanoate;methyl (2S)-3-(4-aminophenyl)-2-[(1-phenylcyclopentanecarbonyl)amino]propanoate;1-phenylcyclopentane-1-carboxylic acid
CID 157478896
(2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 139663590
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl (2S)-2-[(1-aminocyclohexanecarbonyl)amino]-3-(4-hydroxyphenyl)propanoate
CID 10567712
(2S)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]-3-[4-[(2,4,6-trimethylphenyl)sulfonylamino]phenyl]propanoic acid
CID 54189116
butyl (2S)-2-[(1-aminocyclopentanecarbonyl)amino]-3-(4-methoxyphenyl)propanoate
CID 10737366
N-ethyl-1-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 110487274
methyl (2S)-3-(4-aminophenyl)-2-[[1-(2-phenylethyl)cyclopentanecarbonyl]amino]propanoate
CID 174447639
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
CID 10889521

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate?
The IUPAC name of methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate (CID 23384194) is methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate?
The canonical SMILES for methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate is COC(=O)C(Cc1ccc(N)cc1)NC(=O)C1(c2ccc(OC)cc2)CCCCC1.
What is the InChIKey of methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate?
The InChIKey is DSRIDZSNPOIWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4/c1-29-20-12-8-18(9-13-20)24(14-4-3-5-15-24)23(28)26-21(22(27)30-2)16-17-6-10-19(25)11-7-17/h6-13,21H,3-5,14-16,25H2,1-2H3,(H,26,28).
What are the key properties of methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate?
methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate has a molecular weight of 410.51 g/mol, XLogP of 3.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-aminophenyl)-2-[[1-(4-methoxyphenyl)cyclohexanecarbonyl]amino]propanoate is sourced from PubChem (CID 23384194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).