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

C24H32N4O3 — CID 54834376

IUPACN-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)17-7-11-19(12-8-17)25-15-21(29)27-20-13-9-18(10-14-20)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyVWVIATRUVYCKQY-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.79
Rot. Bonds8

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

N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834376) has the molecular formula C24H32N4O3 and a molecular weight of 424.55 g/mol. Its IUPAC name is N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834376
Molecular FormulaC24H32N4O3
Molecular Weight424.55 g/mol
Exact Mass424.25
IUPAC NameN-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
SMILESCCC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)17-7-11-19(12-8-17)25-15-21(29)27-20-13-9-18(10-14-20)23(31)28-24(3,4)5/h7-14,16,25H,6,15H2,1-5H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyVWVIATRUVYCKQY-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

4-[[2-(butan-2-ylamino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54834741
N-butan-2-yl-3-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54835192
3-[[2-[3-(butan-2-ylcarbamoyl)anilino]-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54844628
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
4-[[2-(3-acetamidoanilino)acetyl]amino]-N-butan-2-ylbenzamide
CID 54831862
N-butan-2-yl-4-[[2-(2,4,6-trimethylanilino)acetyl]amino]benzamide
CID 54811803
N-butan-2-yl-4-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]benzamide
CID 54834460
N-butan-2-yl-4-[[2-oxo-2-(prop-2-enylamino)ethyl]amino]benzamide
CID 54834615
N-butan-2-yl-4-[[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834706
N-butan-2-yl-4-[[2-[4-(2-ethoxyethoxy)anilino]acetyl]amino]benzamide
CID 54825625
N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide (CID 54834376) is N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is CCC(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is VWVIATRUVYCKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O3/c1-6-16(2)26-22(30)17-7-11-19(12-8-17)25-15-21(29)27-20-13-9-18(10-14-20)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-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide?
N-butan-2-yl-4-[[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-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).