4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide

C26H28N4O3 — CID 54835804

IUPAC4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-16-27-25(32)20-8-12-22(13-9-20)28-18-24(31)30-23-14-10-21(11-15-23)26(33)29-17-19-6-4-3-5-7-19/h3-15,28H,2,16-18H2,1H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeyRAXTVWOSDCSOQO-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.81
Rot. Bonds10

About 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide

4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide (PubChem CID 54835804) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
PubChem CID54835804
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC Name4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1
InChIInChI=1S/C26H28N4O3/c1-2-16-27-25(32)20-8-12-22(13-9-20)28-18-24(31)30-23-14-10-21(11-15-23)26(33)29-17-19-6-4-3-5-7-19/h3-15,28H,2,16-18H2,1H3,(H,27,32)(H,29,33)(H,30,31)
InChIKeyRAXTVWOSDCSOQO-UHFFFAOYSA-N
XLogP3.81
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-benzyl-4-(propylamino)benzamide
CID 62172438
4-[(2-anilinoacetyl)amino]-N-butylbenzamide
CID 54810364
4-[[2-oxo-2-[4-(2-phenylethoxy)anilino]ethyl]amino]-N-propylbenzamide
CID 54836155
N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
4-[[2-(4-fluoroanilino)acetyl]amino]-N-propylbenzamide
CID 54813322
4-[[2-(4-bromoanilino)acetyl]amino]-N-propylbenzamide
CID 54811079
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844716
N-benzyl-4-[[2-(heptylamino)-2-oxoethyl]amino]benzamide
CID 54843793
4-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]-N-propylbenzamide
CID 54840845

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The IUPAC name of 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide (CID 54835804) is 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide.
What is the SMILES notation for 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The canonical SMILES for 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide is CCCNC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)cc1.
What is the InChIKey of 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
The InChIKey is RAXTVWOSDCSOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-2-16-27-25(32)20-8-12-22(13-9-20)28-18-24(31)30-23-14-10-21(11-15-23)26(33)29-17-19-6-4-3-5-7-19/h3-15,28H,2,16-18H2,1H3,(H,27,32)(H,29,33)(H,30,31).
What are the key properties of 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide?
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide has a molecular weight of 444.54 g/mol, XLogP of 3.81, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide is sourced from PubChem (CID 54835804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).