N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

C24H32N4O3 — CID 54835192

IUPACN-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)18-8-7-9-20(14-18)25-15-21(29)27-19-12-10-17(11-13-19)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyZUFYBNQDNVDTPY-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.79
Rot. Bonds8

About N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide

N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54835192) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54835192
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1
InChIInChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)18-8-7-9-20(14-18)25-15-21(29)27-19-12-10-17(11-13-19)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyZUFYBNQDNVDTPY-UHFFFAOYSA-N
XLogP3.79
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376
N-butan-2-yl-3-[[2-(4-methylanilino)-2-oxoethyl]amino]benzamide
CID 54834919
N-butan-2-yl-3-[[2-(4-chloroanilino)-2-oxoethyl]amino]benzamide
CID 54833658
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
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
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
N-butan-2-yl-3-[[2-[4-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835277
N-[4-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]-3-methylbenzamide
CID 54840381

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54835192) is N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)c1.
What is the InChIKey of N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is ZUFYBNQDNVDTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)18-8-7-9-20(14-18)25-15-21(29)27-19-12-10-17(11-13-19)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 424.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54835192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).