methyl 2-[(2-benzamidobenzoyl)amino]butanoate

C19H20N2O4 — CID 2927889

IUPACmethyl 2-[(2-benzamidobenzoyl)amino]butanoate
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H20N2O4/c1-3-15(19(24)25-2)20-18(23)14-11-7-8-12-16(14)21-17(22)13-9-5-4-6-10-13/h4-12,15H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUHBIWODCFCNGQT-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds6

About methyl 2-[(2-benzamidobenzoyl)amino]butanoate

methyl 2-[(2-benzamidobenzoyl)amino]butanoate (PubChem CID 2927889) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 2-[(2-benzamidobenzoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2-benzamidobenzoyl)amino]butanoate
PubChem CID2927889
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 2-[(2-benzamidobenzoyl)amino]butanoate
SMILESCCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)OC
InChIInChI=1S/C19H20N2O4/c1-3-15(19(24)25-2)20-18(23)14-11-7-8-12-16(14)21-17(22)13-9-5-4-6-10-13/h4-12,15H,3H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyUHBIWODCFCNGQT-UHFFFAOYSA-N
XLogP2.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-benzamidobenzoyl)amino]butanoate?
The IUPAC name of methyl 2-[(2-benzamidobenzoyl)amino]butanoate (CID 2927889) is methyl 2-[(2-benzamidobenzoyl)amino]butanoate.
What is the SMILES notation for methyl 2-[(2-benzamidobenzoyl)amino]butanoate?
The canonical SMILES for methyl 2-[(2-benzamidobenzoyl)amino]butanoate is CCC(NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)OC.
What is the InChIKey of methyl 2-[(2-benzamidobenzoyl)amino]butanoate?
The InChIKey is UHBIWODCFCNGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-3-15(19(24)25-2)20-18(23)14-11-7-8-12-16(14)21-17(22)13-9-5-4-6-10-13/h4-12,15H,3H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of methyl 2-[(2-benzamidobenzoyl)amino]butanoate?
methyl 2-[(2-benzamidobenzoyl)amino]butanoate has a molecular weight of 340.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-benzamidobenzoyl)amino]butanoate is sourced from PubChem (CID 2927889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).