methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate

C26H24N2O4 — CID 166316434

IUPACmethyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate
SMILESCOC(=O)C(CCc1ccc(OC)cc1)NC(=O)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C26H24N2O4/c1-31-22-14-7-18(8-15-22)9-16-24(26(30)32-2)28-25(29)20-12-10-19(11-13-20)23-6-4-3-5-21(23)17-27/h3-8,10-15,24H,9,16H2,1-2H3,(H,28,29)
InChIKeyAKPSNBSUWIYORX-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.14
Rot. Bonds8

About methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate

methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate (PubChem CID 166316434) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate.

Molecular Properties

Compound Namemethyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate
PubChem CID166316434
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Namemethyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate
SMILESCOC(=O)C(CCc1ccc(OC)cc1)NC(=O)c1ccc(-c2ccccc2C#N)cc1
InChIInChI=1S/C26H24N2O4/c1-31-22-14-7-18(8-15-22)9-16-24(26(30)32-2)28-25(29)20-12-10-19(11-13-20)23-6-4-3-5-21(23)17-27/h3-8,10-15,24H,9,16H2,1-2H3,(H,28,29)
InChIKeyAKPSNBSUWIYORX-UHFFFAOYSA-N
XLogP4.14
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate with MolForge

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Related Compounds

[4-(2-cyanophenyl)phenyl]methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 31117812
methyl 2-[[4-[1-(aminomethyl)cyclopropyl]benzoyl]amino]-4-(4-methoxyphenyl)butanoate
CID 166304324
2-[4-[2-[(4-methoxyphenyl)methoxy]ethyl]phenyl]benzonitrile
CID 21257477
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
N-[4-[2-[4-(2-cyanophenyl)phenyl]ethoxy]phenyl]-3-hydroxy-2-methylpropanamide
CID 143188435
2-[2-(4-methoxyphenyl)ethyl]benzonitrile
CID 70516707
2-[[4-amino-3-[2-(4-methoxyphenyl)ethyl]benzoyl]amino]-4-phenylbutanoic acid
CID 123668434
methyl 2-[(4-cyanatobenzoyl)amino]-3-(4-cyanatophenyl)propanoate
CID 134170556
methyl 2-[(4-methoxybenzoyl)amino]-4-methylpentanoate
CID 3376404
2-(2-cyanophenyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 55878950
2-[4-[[3-[2-(4-methoxyphenyl)-2-oxoethyl]-2,4-dioxo-6-propylpyrimidin-1-yl]methyl]phenyl]benzonitrile
CID 59351583
3-[4-(2-cyanophenyl)phenyl]propanoic acid
CID 1394467

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate?
The IUPAC name of methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate (CID 166316434) is methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate.
What is the SMILES notation for methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate?
The canonical SMILES for methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate is COC(=O)C(CCc1ccc(OC)cc1)NC(=O)c1ccc(-c2ccccc2C#N)cc1.
What is the InChIKey of methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate?
The InChIKey is AKPSNBSUWIYORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-31-22-14-7-18(8-15-22)9-16-24(26(30)32-2)28-25(29)20-12-10-19(11-13-20)23-6-4-3-5-21(23)17-27/h3-8,10-15,24H,9,16H2,1-2H3,(H,28,29).
What are the key properties of methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate?
methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate has a molecular weight of 428.49 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-(2-cyanophenyl)benzoyl]amino]-4-(4-methoxyphenyl)butanoate is sourced from PubChem (CID 166316434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).