N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C24H32N4O3 — CID 54835017

IUPACN-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)18-10-8-12-20(14-18)25-16-22(29)27-21-13-9-11-19(15-21)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyMFFZBGZGVBKCFW-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.75
Rot. Bonds10

About N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54835017) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54835017
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)18-10-8-12-20(14-18)25-16-22(29)27-21-13-9-11-19(15-21)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyMFFZBGZGVBKCFW-UHFFFAOYSA-N
XLogP3.75
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835105
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832656
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]-N-ethylbenzamide
CID 54837721
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-3-[[2-[3-(2-methylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54834956
N-butan-2-yl-3-[[2-(3,5-dimethylanilino)acetyl]amino]benzamide
CID 54813452
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
3-[[2-[3-(benzylcarbamoyl)anilino]-2-oxoethyl]amino]-N-butan-2-ylbenzamide
CID 54834929

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54835017) is N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(C(=O)N(CC)CC)c2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is MFFZBGZGVBKCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)18-10-8-12-20(14-18)25-16-22(29)27-21-13-9-11-19(15-21)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.75, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54835017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).