4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide

C25H34N2O3 — CID 17199601

IUPAC4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-7-17(3)20-11-9-10-12-22(20)30-21(8-2)24(29)26-19-15-13-18(14-16-19)23(28)27-25(4,5)6/h9-17,21H,7-8H2,1-6H3,(H,26,29)(H,27,28)
InChIKeyYNLXPCNVEZSWHU-UHFFFAOYSA-N
MW410.56 g/mol
LogP5.52
Rot. Bonds8

About 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide

4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide (PubChem CID 17199601) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide.

Molecular Properties

Compound Name4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
PubChem CID17199601
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Name4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1
InChIInChI=1S/C25H34N2O3/c1-7-17(3)20-11-9-10-12-22(20)30-21(8-2)24(29)26-19-15-13-18(14-16-19)23(28)27-25(4,5)6/h9-17,21H,7-8H2,1-6H3,(H,26,29)(H,27,28)
InChIKeyYNLXPCNVEZSWHU-UHFFFAOYSA-N
XLogP5.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.56
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
N-[4-[2-(2-butan-2-ylphenoxy)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 17235107
2-(2-butan-2-ylphenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]butanamide
CID 43915072
2-(2-butan-2-ylphenoxy)-N-(4-nitrophenyl)butanamide
CID 17150622
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 17150580
N-tert-butyl-4-(2-ethoxybutanoylamino)benzamide
CID 47072533
4-tert-butyl-N-[4-[2-(2-methylphenoxy)butanoylamino]phenyl]benzamide
CID 17235025
N-tert-butyl-4-(2-methylbutanoylamino)benzamide
CID 46540195
3-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-(1-phenylethyl)benzamide
CID 43877899
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650
2-(2-butan-2-ylphenoxy)-N-phenylpropanamide
CID 17129825

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide?
The IUPAC name of 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide (CID 17199601) is 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide.
What is the SMILES notation for 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide?
The canonical SMILES for 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1.
What is the InChIKey of 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide?
The InChIKey is YNLXPCNVEZSWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-7-17(3)20-11-9-10-12-22(20)30-21(8-2)24(29)26-19-15-13-18(14-16-19)23(28)27-25(4,5)6/h9-17,21H,7-8H2,1-6H3,(H,26,29)(H,27,28).
What are the key properties of 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide?
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide has a molecular weight of 410.56 g/mol, XLogP of 5.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide is sourced from PubChem (CID 17199601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).