N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide

C26H28N4O3 — CID 54840675

IUPACN-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-30(2)25(32)15-14-19-8-6-12-22(16-19)28-24(31)18-27-21-11-7-13-23(17-21)29-26(33)20-9-4-3-5-10-20/h3-13,16-17,27H,14-15,18H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyDMNDIGDAZDIBRB-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.01
Rot. Bonds9

About N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide

N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 54840675) has the molecular formula C26H28N4O3 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
PubChem CID54840675
Molecular FormulaC26H28N4O3
Molecular Weight444.54 g/mol
Exact Mass444.22
IUPAC NameN-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccccc3)c2)c1
InChIInChI=1S/C26H28N4O3/c1-30(2)25(32)15-14-19-8-6-12-22(16-19)28-24(31)18-27-21-11-7-13-23(17-21)29-26(33)20-9-4-3-5-10-20/h3-13,16-17,27H,14-15,18H2,1-2H3,(H,28,31)(H,29,33)
InChIKeyDMNDIGDAZDIBRB-UHFFFAOYSA-N
XLogP4.01
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841395
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54845526
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54831069
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-benzyl-N-methylbenzamide
CID 54842144
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N-[3-[[2-[3-(butanoylamino)anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54839157

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide (CID 54840675) is N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide is CN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(NC(=O)c3ccccc3)c2)c1.
What is the InChIKey of N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is DMNDIGDAZDIBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O3/c1-30(2)25(32)15-14-19-8-6-12-22(16-19)28-24(31)18-27-21-11-7-13-23(17-21)29-26(33)20-9-4-3-5-10-20/h3-13,16-17,27H,14-15,18H2,1-2H3,(H,28,31)(H,29,33).
What are the key properties of N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide?
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 444.54 g/mol, XLogP of 4.01, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 54840675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).