3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

C23H30N4O3 — CID 54833387

IUPAC3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C23H30N4O3/c1-16(2)25-23(30)18-6-5-7-20(14-18)24-15-21(28)26-19-11-8-17(9-12-19)10-13-22(29)27(3)4/h5-9,11-12,14,16,24H,10,13,15H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyCONOSUKDMCWOGN-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.90
Rot. Bonds9

About 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide

3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54833387) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
PubChem CID54833387
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1
InChIInChI=1S/C23H30N4O3/c1-16(2)25-23(30)18-6-5-7-20(14-18)24-15-21(28)26-19-11-8-17(9-12-19)10-13-22(29)27(3)4/h5-9,11-12,14,16,24H,10,13,15H2,1-4H3,(H,25,30)(H,26,28)
InChIKeyCONOSUKDMCWOGN-UHFFFAOYSA-N
XLogP2.90
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-methyl-N-phenylbenzamide
CID 54838290
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841395
3-[4-[[2-(3-acetamidoanilino)acetyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54831723
4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 54845526
methyl 4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]benzoate
CID 54833405
3-methyl-N-[4-[[2-[3-(propan-2-ylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54833495
3-[[2-oxo-2-[4-(propan-2-ylcarbamoyl)anilino]ethyl]amino]benzamide
CID 54842589
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54842495
3-[[2-[3-[benzyl(methyl)carbamoyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide
CID 54833586
3-[[2-[3-(butanoylamino)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54830817

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide (CID 54833387) is 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(CCC(=O)N(C)C)cc2)c1.
What is the InChIKey of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is CONOSUKDMCWOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-16(2)25-23(30)18-6-5-7-20(14-18)24-15-21(28)26-19-11-8-17(9-12-19)10-13-22(29)27(3)4/h5-9,11-12,14,16,24H,10,13,15H2,1-4H3,(H,25,30)(H,26,28).
What are the key properties of 3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide?
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 410.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 3 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-propan-2-ylbenzamide is sourced from PubChem (CID 54833387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).