N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide

C25H26N4O3 — CID 54843743

IUPACN-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C25H26N4O3/c1-2-23(30)28-21-9-6-10-22(15-21)29-24(31)17-26-20-13-11-19(12-14-20)25(32)27-16-18-7-4-3-5-8-18/h3-15,26H,2,16-17H2,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyUPVFIHRWDMWCJV-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.02
Rot. Bonds9

About N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide

N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide (PubChem CID 54843743) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
PubChem CID54843743
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
SMILESCCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)c1
InChIInChI=1S/C25H26N4O3/c1-2-23(30)28-21-9-6-10-22(15-21)29-24(31)17-26-20-13-11-19(12-14-20)25(32)27-16-18-7-4-3-5-8-18/h3-15,26H,2,16-17H2,1H3,(H,27,32)(H,28,30)(H,29,31)
InChIKeyUPVFIHRWDMWCJV-UHFFFAOYSA-N
XLogP4.02
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
methyl 4-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54817135
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
N-benzyl-4-[[2-oxo-2-(3-phenylmethoxyanilino)ethyl]amino]benzamide
CID 54843886
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-benzyl-4-[[2-(3,5-dichloroanilino)-2-oxoethyl]amino]benzamide
CID 54844035
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
3-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
CID 54834929
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide (CID 54843743) is N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide is CCC(=O)Nc1cccc(NC(=O)CNc2ccc(C(=O)NCc3ccccc3)cc2)c1.
What is the InChIKey of N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
The InChIKey is UPVFIHRWDMWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-2-23(30)28-21-9-6-10-22(15-21)29-24(31)17-26-20-13-11-19(12-14-20)25(32)27-16-18-7-4-3-5-8-18/h3-15,26H,2,16-17H2,1H3,(H,27,32)(H,28,30)(H,29,31).
What are the key properties of N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide?
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide has a molecular weight of 430.51 g/mol, XLogP of 4.02, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 54843743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).