[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate

C26H26N2O4 — CID 46819587

IUPAC[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate
SMILESCC(CC(=O)OC(C)C(=O)Nc1ccccc1-c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-18(27-26(31)21-13-7-4-8-14-21)17-24(29)32-19(2)25(30)28-23-16-10-9-15-22(23)20-11-5-3-6-12-20/h3-16,18-19H,17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyBUURTCJHPANPSP-UHFFFAOYSA-N
MW430.50 g/mol
LogP4.43
Rot. Bonds8

About [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate

[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate (PubChem CID 46819587) has the molecular formula C26H26N2O4 and a molecular weight of 430.50 g/mol. Its IUPAC name is [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate.

Molecular Properties

Compound Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate
PubChem CID46819587
Molecular FormulaC26H26N2O4
Molecular Weight430.50 g/mol
Exact Mass430.19
IUPAC Name[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate
SMILESCC(CC(=O)OC(C)C(=O)Nc1ccccc1-c1ccccc1)NC(=O)c1ccccc1
InChIInChI=1S/C26H26N2O4/c1-18(27-26(31)21-13-7-4-8-14-21)17-24(29)32-19(2)25(30)28-23-16-10-9-15-22(23)20-11-5-3-6-12-20/h3-16,18-19H,17H2,1-2H3,(H,27,31)(H,28,30)
InChIKeyBUURTCJHPANPSP-UHFFFAOYSA-N
XLogP4.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl] 3-benzamidobutanoate
CID 55379937
[1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 55379997
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-phenoxyacetate
CID 7980293
[1-oxo-1-(2-phenylanilino)propan-2-yl] 2-[(3-bromobenzoyl)amino]acetate
CID 42969052
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-phenoxypropanoate
CID 7841449
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819689
[1-oxo-1-(2-phenylanilino)propan-2-yl] 4-[(4-chlorobenzoyl)amino]butanoate
CID 42969092
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 3-(carbamoylamino)propanoate
CID 8641965
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] (E)-but-2-enoate
CID 7698882
[1-(3-cyanoanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate
CID 46819586
methyl 3-benzamidobutanoate
CID 10857046
[(2S)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-methoxyphenoxy)acetate
CID 7854072

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate?
The IUPAC name of [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate (CID 46819587) is [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate.
What is the SMILES notation for [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate?
The canonical SMILES for [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate is CC(CC(=O)OC(C)C(=O)Nc1ccccc1-c1ccccc1)NC(=O)c1ccccc1.
What is the InChIKey of [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate?
The InChIKey is BUURTCJHPANPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O4/c1-18(27-26(31)21-13-7-4-8-14-21)17-24(29)32-19(2)25(30)28-23-16-10-9-15-22(23)20-11-5-3-6-12-20/h3-16,18-19H,17H2,1-2H3,(H,27,31)(H,28,30).
What are the key properties of [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate?
[1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate has a molecular weight of 430.50 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-phenylanilino)propan-2-yl] 3-benzamidobutanoate is sourced from PubChem (CID 46819587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).