3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

C22H28N4O3 — CID 54840700

IUPAC3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H28N4O3/c1-25(2)21(28)13-10-16-8-11-18(12-9-16)24-20(27)15-23-19-7-5-6-17(14-19)22(29)26(3)4/h5-9,11-12,14,23H,10,13,15H2,1-4H3,(H,24,27)
InChIKeyZDPDTZDERFMAGC-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.46
Rot. Bonds8

About 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide

3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (PubChem CID 54840700) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
PubChem CID54840700
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC Name3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)CCc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1
InChIInChI=1S/C22H28N4O3/c1-25(2)21(28)13-10-16-8-11-18(12-9-16)24-20(27)15-23-19-7-5-6-17(14-19)22(29)26(3)4/h5-9,11-12,14,23H,10,13,15H2,1-4H3,(H,24,27)
InChIKeyZDPDTZDERFMAGC-UHFFFAOYSA-N
XLogP2.46
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
N,N-dimethyl-3-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54840725
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833387
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
N,N-dimethyl-3-[[2-oxo-2-[4-(propanoylamino)anilino]ethyl]amino]benzamide
CID 54840880
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
3-[[2-(3,5-difluoroanilino)-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 37275657
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[[2-(3-chloro-4-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 54816056

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide (CID 54840700) is 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)CCc1ccc(NC(=O)CNc2cccc(C(=O)N(C)C)c2)cc1.
What is the InChIKey of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
The InChIKey is ZDPDTZDERFMAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-25(2)21(28)13-10-16-8-11-18(12-9-16)24-20(27)15-23-19-7-5-6-17(14-19)22(29)26(3)4/h5-9,11-12,14,23H,10,13,15H2,1-4H3,(H,24,27).
What are the key properties of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide?
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 54840700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).