N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide

C22H29NO3 — CID 163343246

IUPACN-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)21(24)23-18-8-12-20(13-9-18)26-15-14-25-19-10-6-17(7-11-19)22(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,23,24)
InChIKeyQHQKGFQYSMWJDK-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.04
Rot. Bonds7

About N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide

N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide (PubChem CID 163343246) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
PubChem CID163343246
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(2)21(24)23-18-8-12-20(13-9-18)26-15-14-25-19-10-6-17(7-11-19)22(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,23,24)
InChIKeyQHQKGFQYSMWJDK-UHFFFAOYSA-N
XLogP5.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-hydroxy-2-methylpropoxy)phenyl]-2-methylpropanamide
CID 111433002
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
N-(4-tert-butylphenyl)-4-(2-methylpropanoylamino)benzamide
CID 39088297
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855941
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855940
N-[4-[[(4-tert-butylbenzoyl)amino]carbamoyl]phenyl]-2-methylpropanamide
CID 4925295
2-methyl-N-[4-[[2-(4-propoxyphenoxy)acetyl]amino]phenyl]propanamide
CID 26907045
2-methyl-N-[4-[[2-[4-(3-methylbutoxy)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54830470
4-tert-butyl-N-[4-(2-hydroxyethoxy)phenyl]benzamide
CID 14698589
[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-(4-tert-butylphenoxy)propanoate
CID 7855990
(2R)-2-(4-tert-butylphenoxy)-N-(4-prop-2-enoxyphenyl)propanamide
CID 26075067
2-(4-tert-butylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4945067

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide (CID 163343246) is N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(OCCOc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide?
The InChIKey is QHQKGFQYSMWJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(2)21(24)23-18-8-12-20(13-9-18)26-15-14-25-19-10-6-17(7-11-19)22(3,4)5/h6-13,16H,14-15H2,1-5H3,(H,23,24).
What are the key properties of N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide?
N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide has a molecular weight of 355.48 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-tert-butylphenoxy)ethoxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 163343246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).