methyl 4-[(2-benzoylbenzoyl)amino]butanoate

C19H19NO4 — CID 33234645

IUPACmethyl 4-[(2-benzoylbenzoyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-24-17(21)12-7-13-20-19(23)16-11-6-5-10-15(16)18(22)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,23)
InChIKeyWMSVAYZHBGIQDW-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.60
Rot. Bonds7

About methyl 4-[(2-benzoylbenzoyl)amino]butanoate

methyl 4-[(2-benzoylbenzoyl)amino]butanoate (PubChem CID 33234645) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 4-[(2-benzoylbenzoyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[(2-benzoylbenzoyl)amino]butanoate
PubChem CID33234645
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Namemethyl 4-[(2-benzoylbenzoyl)amino]butanoate
SMILESCOC(=O)CCCNC(=O)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C19H19NO4/c1-24-17(21)12-7-13-20-19(23)16-11-6-5-10-15(16)18(22)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,23)
InChIKeyWMSVAYZHBGIQDW-UHFFFAOYSA-N
XLogP2.60
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methoxy-4-oxobutyl)carbamoyl]benzoic acid
CID 60662850
2-benzoyl-N-(3-methoxypropyl)benzamide
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methyl 4-benzamidobutanoate
CID 13197711
methyl 2-[(2-benzoylbenzoyl)amino]acetate
CID 26586239
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
methyl 4-[(2-benzylbenzoyl)amino]butanoate
CID 112794767
2-benzoyl-N-[3-(dimethylamino)propyl]benzamide
CID 78793921
methyl 4-[[2-(aminomethyl)benzoyl]amino]butanoate
CID 82546914
(2R)-2-amino-6-[(2-benzoylbenzoyl)amino]hexanoic acid
CID 67015249
methyl 5-[[2-(benzylamino)benzoyl]amino]pentanoate
CID 75436256
trimethylsilyl 4-benzamidobutanoate
CID 10802651
methyl 6-[(2-nitrobenzoyl)amino]hexanoate
CID 31839179

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2-benzoylbenzoyl)amino]butanoate?
The IUPAC name of methyl 4-[(2-benzoylbenzoyl)amino]butanoate (CID 33234645) is methyl 4-[(2-benzoylbenzoyl)amino]butanoate.
What is the SMILES notation for methyl 4-[(2-benzoylbenzoyl)amino]butanoate?
The canonical SMILES for methyl 4-[(2-benzoylbenzoyl)amino]butanoate is COC(=O)CCCNC(=O)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of methyl 4-[(2-benzoylbenzoyl)amino]butanoate?
The InChIKey is WMSVAYZHBGIQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-24-17(21)12-7-13-20-19(23)16-11-6-5-10-15(16)18(22)14-8-3-2-4-9-14/h2-6,8-11H,7,12-13H2,1H3,(H,20,23).
What are the key properties of methyl 4-[(2-benzoylbenzoyl)amino]butanoate?
methyl 4-[(2-benzoylbenzoyl)amino]butanoate has a molecular weight of 325.36 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2-benzoylbenzoyl)amino]butanoate is sourced from PubChem (CID 33234645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).