N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide

C26H28N4O3 — CID 54844716

IUPACN-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)ccc1C
InChIInChI=1S/C26H28N4O3/c1-3-24(31)30-23-15-22(12-9-18(23)2)27-17-25(32)29-21-13-10-20(11-14-21)26(33)28-16-19-7-5-4-6-8-19/h4-15,27H,3,16-17H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)
InChIKeyPORORMYNJYNHEX-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.32
Rot. Bonds9

About N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide

N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide (PubChem CID 54844716) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
PubChem CID54844716
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
SMILESCCC(=O)Nc1cc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)ccc1C
InChIInChI=1S/C26H28N4O3/c1-3-24(31)30-23-15-22(12-9-18(23)2)27-17-25(32)29-21-13-10-20(11-14-21)26(33)28-16-19-7-5-4-6-8-19/h4-15,27H,3,16-17H2,1-2H3,(H,28,33)(H,29,32)(H,30,31)
InChIKeyPORORMYNJYNHEX-UHFFFAOYSA-N
XLogP4.32
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54843743
N-benzyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54844304
N-butyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide
CID 54844769
4-[[2-[4-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-propylbenzamide
CID 54835804
N-benzyl-4-[[2-(propanoylamino)acetyl]amino]benzamide
CID 86846187
N-[3-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]phenyl]benzamide
CID 54844860
N-benzyl-4-[[2-(naphthalen-2-ylamino)acetyl]amino]benzamide
CID 54839752
N-benzyl-3-[[2-(2,5-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54842992
N-benzyl-3-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54844536
N-benzyl-4-[[2-(3-bromoanilino)acetyl]amino]benzamide
CID 54840404
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964
3-benzamido-4-methyl-N-[4-(propanoylamino)phenyl]benzamide
CID 55788298

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The IUPAC name of N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide (CID 54844716) is N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide is CCC(=O)Nc1cc(NCC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc2)ccc1C.
What is the InChIKey of N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
The InChIKey is PORORMYNJYNHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-3-24(31)30-23-15-22(12-9-18(23)2)27-17-25(32)29-21-13-10-20(11-14-21)26(33)28-16-19-7-5-4-6-8-19/h4-15,27H,3,16-17H2,1-2H3,(H,28,33)(H,29,32)(H,30,31).
What are the key properties of N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide?
N-benzyl-4-[[2-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.32, 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-[4-methyl-3-(propanoylamino)anilino]acetyl]amino]benzamide is sourced from PubChem (CID 54844716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).