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

C20H24N4O3 — CID 54842495

IUPAC3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C20H24N4O3/c1-24(2)19(26)10-9-14-5-3-8-17(11-14)23-18(25)13-22-16-7-4-6-15(12-16)20(21)27/h3-8,11-12,22H,9-10,13H2,1-2H3,(H2,21,27)(H,23,25)
InChIKeyZKHQYYOCUWKPPX-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.86
Rot. Bonds8

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

3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54842495) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
PubChem CID54842495
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
SMILESCN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(C(N)=O)c2)c1
InChIInChI=1S/C20H24N4O3/c1-24(2)19(26)10-9-14-5-3-8-17(11-14)23-18(25)13-22-16-7-4-6-15(12-16)20(21)27/h3-8,11-12,22H,9-10,13H2,1-2H3,(H2,21,27)(H,23,25)
InChIKeyZKHQYYOCUWKPPX-UHFFFAOYSA-N
XLogP1.86
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-[3-[[2-(3-methylanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845579
N-[3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]phenyl]benzamide
CID 54840675
N,N-dimethyl-3-[3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]phenyl]propanamide
CID 54845974
3-[3-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845549
N,N-dimethyl-3-[3-[[2-(naphthalen-2-ylamino)-2-oxoethyl]amino]phenyl]propanamide
CID 54845622
N-cyclohexyl-3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide
CID 54831069
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N-(1-phenylethyl)benzamide
CID 54841395
3-[[2-[4-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]-N,N-dimethylbenzamide
CID 54840700
3-[3-[[2-(4-methoxyanilino)-2-oxoethyl]amino]phenyl]-N,N-dimethylpropanamide
CID 54845774
N,N-dimethyl-3-[3-[[2-(2,4,6-trimethylanilino)acetyl]amino]phenyl]propanamide
CID 54812065
propyl 4-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]acetyl]amino]benzoate
CID 54845872
N,N-dimethyl-3-[3-[[2-[4-methyl-3-(propanoylamino)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54845657

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide (CID 54842495) is 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide is CN(C)C(=O)CCc1cccc(NC(=O)CNc2cccc(C(N)=O)c2)c1.
What is the InChIKey of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZKHQYYOCUWKPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-24(2)19(26)10-9-14-5-3-8-17(11-14)23-18(25)13-22-16-7-4-6-15(12-16)20(21)27/h3-8,11-12,22H,9-10,13H2,1-2H3,(H2,21,27)(H,23,25).
What are the key properties of 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide?
3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 368.44 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[3-[3-(dimethylamino)-3-oxopropyl]anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54842495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).