3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide

C24H32N4O3 — CID 54832656

IUPAC3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)18-11-13-20(14-12-18)27-22(29)16-25-21-10-8-9-19(15-21)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyGOYVRTOTMFMYHI-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.75
Rot. Bonds10

About 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide

3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide (PubChem CID 54832656) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
PubChem CID54832656
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC Name3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
SMILESCCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)cc1
InChIInChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)18-11-13-20(14-12-18)27-22(29)16-25-21-10-8-9-19(15-21)24(31)28(6-2)7-3/h8-15,17,25H,5-7,16H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyGOYVRTOTMFMYHI-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

Analyze 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide with MolForge

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Related Compounds

N-butan-2-yl-3-[[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835105
N-butan-2-yl-3-[[2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835017
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]acetyl]amino]-N-methyl-N-phenylbenzamide
CID 54837059
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
N-butan-2-yl-3-[[2-[4-(dimethylcarbamoyl)anilino]acetyl]amino]benzamide
CID 54840688
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
3-[[2-[4-(butanoylamino)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide
CID 54832690
3-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831805
3-[[2-oxo-2-[4-(1-phenylethylcarbamoyl)anilino]ethyl]amino]-N,N-dipropylbenzamide
CID 54841841

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The IUPAC name of 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide (CID 54832656) is 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide.
What is the SMILES notation for 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The canonical SMILES for 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide is CCC(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)N(CC)CC)c2)cc1.
What is the InChIKey of 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
The InChIKey is GOYVRTOTMFMYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-5-17(4)26-23(30)18-11-13-20(14-12-18)27-22(29)16-25-21-10-8-9-19(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 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide?
3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide 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 3-[[2-[4-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N,N-diethylbenzamide is sourced from PubChem (CID 54832656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).