2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide

C22H29NO2 — CID 17150580

IUPAC2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C22H29NO2/c1-6-15(3)19-10-8-9-11-21(19)25-20(7-2)22(24)23-18-13-12-16(4)17(5)14-18/h8-15,20H,6-7H2,1-5H3,(H,23,24)
InChIKeyPRDBDZZGHDXIKU-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.61
Rot. Bonds7

About 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide

2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide (PubChem CID 17150580) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
PubChem CID17150580
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide
SMILESCCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(C)c(C)c1
InChIInChI=1S/C22H29NO2/c1-6-15(3)19-10-8-9-11-21(19)25-20(7-2)22(24)23-18-13-12-16(4)17(5)14-18/h8-15,20H,6-7H2,1-5H3,(H,23,24)
InChIKeyPRDBDZZGHDXIKU-UHFFFAOYSA-N
XLogP5.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.48
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminophenyl)-2-(2-butan-2-ylphenoxy)butanamide
CID 46735880
4-[2-(2-butan-2-ylphenoxy)butanoylamino]benzoic acid
CID 54855905
2-(2-butan-2-ylphenoxy)-N-[4-[4-[2-(2-butan-2-ylphenoxy)butanoylamino]-3-methylphenyl]-2-methylphenyl]butanamide
CID 23013474
2-(2-butan-2-ylphenoxy)-N-(3-propoxyphenyl)butanamide
CID 17150722
2-(2-butan-2-ylphenoxy)-N-(2-methoxyphenyl)butanamide
CID 17150650
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-nitrophenyl)butanamide
CID 17150578
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
4-[2-(2-butan-2-ylphenoxy)butanoylamino]-N-tert-butylbenzamide
CID 17199601
2-(2-butan-2-ylphenoxy)-N-[3-(3-phenylpropanoylamino)phenyl]butanamide
CID 17222982
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethoxyphenyl)propanamide
CID 54781417

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide (CID 17150580) is 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide is CCC(Oc1ccccc1C(C)CC)C(=O)Nc1ccc(C)c(C)c1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
The InChIKey is PRDBDZZGHDXIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-6-15(3)19-10-8-9-11-21(19)25-20(7-2)22(24)23-18-13-12-16(4)17(5)14-18/h8-15,20H,6-7H2,1-5H3,(H,23,24).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide?
2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-(3,4-dimethylphenyl)butanamide is sourced from PubChem (CID 17150580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).