4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide

C22H29NO2 — CID 19173562

IUPAC4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO2/c1-5-17-9-6-7-10-20(17)23-21(24)11-8-16-25-19-14-12-18(13-15-19)22(2,3)4/h6-7,9-10,12-15H,5,8,11,16H2,1-4H3,(H,23,24)
InChIKeyTUFIXPVUMQORPV-UHFFFAOYSA-N
MW339.48 g/mol
LogP5.34
Rot. Bonds7

About 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide

4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide (PubChem CID 19173562) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide.

Molecular Properties

Compound Name4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
PubChem CID19173562
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide
SMILESCCc1ccccc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1
InChIInChI=1S/C22H29NO2/c1-5-17-9-6-7-10-20(17)23-21(24)11-8-16-25-19-14-12-18(13-15-19)22(2,3)4/h6-7,9-10,12-15H,5,8,11,16H2,1-4H3,(H,23,24)
InChIKeyTUFIXPVUMQORPV-UHFFFAOYSA-N
XLogP5.34
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 ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-tert-butylphenoxy)-N-(2-phenylphenyl)butanamide
CID 7929940
N-[2-(2-ethylanilino)-2-oxoethyl]-4-(4-methoxyphenoxy)butanamide
CID 26905201
N-(4-butoxyphenyl)-4-(4-tert-butylphenoxy)butanamide
CID 19173570
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069
4-[4-[(2-ethylphenyl)carbamoyl]phenoxy]butanoic acid
CID 22680833
4-(4-tert-butylphenoxy)-N-[[2-(methanesulfonamido)phenyl]methyl]butanamide
CID 55711441
4-(4-ethoxyphenoxy)-N-(2-methylphenyl)butanamide
CID 7946732
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
N-(2-amino-2-methylpropyl)-4-(4-tert-butylphenoxy)butanamide
CID 119626635
N-[2-(2,2-dimethoxyethyl)phenyl]-4-(4-methoxyphenoxy)butanamide
CID 11111535
3-[4-(4-tert-butylphenoxy)butanoylamino]-4-hydroxybenzoic acid
CID 108753977
N-(2-ethylphenyl)undecanamide
CID 5078439

Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide?
The IUPAC name of 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide (CID 19173562) is 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide.
What is the SMILES notation for 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide?
The canonical SMILES for 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide is CCc1ccccc1NC(=O)CCCOc1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide?
The InChIKey is TUFIXPVUMQORPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-17-9-6-7-10-20(17)23-21(24)11-8-16-25-19-14-12-18(13-15-19)22(2,3)4/h6-7,9-10,12-15H,5,8,11,16H2,1-4H3,(H,23,24).
What are the key properties of 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide?
4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide has a molecular weight of 339.48 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenoxy)-N-(2-ethylphenyl)butanamide is sourced from PubChem (CID 19173562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).