N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide

C24H33N3O3 — CID 54834708

IUPACN-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O3/c1-17(2)14-15-30-21-12-10-20(11-13-21)26-22(28)16-25-19-8-6-18(7-9-19)23(29)27-24(3,4)5/h6-13,17,25H,14-16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyDEPUMNHOCLRIQU-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.69
Rot. Bonds9

About N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide

N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide (PubChem CID 54834708) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
PubChem CID54834708
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC NameN-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide
SMILESCC(C)CCOc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1
InChIInChI=1S/C24H33N3O3/c1-17(2)14-15-30-21-12-10-20(11-13-21)26-22(28)16-25-19-8-6-18(7-9-19)23(29)27-24(3,4)5/h6-13,17,25H,14-16H2,1-5H3,(H,26,28)(H,27,29)
InChIKeyDEPUMNHOCLRIQU-UHFFFAOYSA-N
XLogP4.69
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820536
2-(4-butoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54820391
N-[4-(3-methylbutoxy)phenyl]-2-(4-propoxyanilino)acetamide
CID 54820417
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
N-tert-butyl-4-[[2-(4-methoxyanilino)acetyl]amino]benzamide
CID 54812332
2-(3,5-dimethylanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54813449
N-[3-[[2-[4-(3-methylbutoxy)anilino]acetyl]amino]phenyl]benzamide
CID 54821922
4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]-N-tert-butylbenzamide
CID 54835003
N-[4-(3-methylbutoxy)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841563
N-(3,5-dichlorophenyl)-2-[4-(3-methylbutoxy)anilino]acetamide
CID 54821699
N-tert-butyl-3-[[2-[4-(2-methylpropoxy)anilino]acetyl]amino]benzamide
CID 54820244
N-butan-2-yl-4-[[2-[4-(tert-butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54834376

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
The IUPAC name of N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide (CID 54834708) is N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide.
What is the SMILES notation for N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
The canonical SMILES for N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide is CC(C)CCOc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)cc1.
What is the InChIKey of N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
The InChIKey is DEPUMNHOCLRIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-17(2)14-15-30-21-12-10-20(11-13-21)26-22(28)16-25-19-8-6-18(7-9-19)23(29)27-24(3,4)5/h6-13,17,25H,14-16H2,1-5H3,(H,26,28)(H,27,29).
What are the key properties of N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide?
N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide has a molecular weight of 411.55 g/mol, XLogP of 4.69, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]benzamide is sourced from PubChem (CID 54834708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).