2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide

C22H29NO3 — CID 2960859

IUPAC2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(26-20-12-8-18(9-13-20)22(2,3)4)21(24)23-15-14-17-6-10-19(25-5)11-7-17/h6-13,16H,14-15H2,1-5H3,(H,23,24)
InChIKeyMJUYXQYEVDMIMF-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.12
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 2960859) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID2960859
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1
InChIInChI=1S/C22H29NO3/c1-16(26-20-12-8-18(9-13-20)22(2,3)4)21(24)23-15-14-17-6-10-19(25-5)11-7-17/h6-13,16H,14-15H2,1-5H3,(H,23,24)
InChIKeyMJUYXQYEVDMIMF-UHFFFAOYSA-N
XLogP4.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
(2R)-2-(4-tert-butylphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 8624083
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
CID 24511118
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
CID 24511404
(2S)-2-(4-tert-butylphenoxy)-N-[2-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]ethyl]propanamide
CID 35574095
(2R)-2-(4-tert-butylphenoxy)-N-ethylpropanamide
CID 94033716
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100768119
2-(4-tert-butylphenoxy)-N-(2-methylpropyl)propanamide
CID 19204146
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
2-(4-tert-butylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 109001296

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 2960859) is 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)Oc2ccc(C(C)(C)C)cc2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is MJUYXQYEVDMIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-16(26-20-12-8-18(9-13-20)22(2,3)4)21(24)23-15-14-17-6-10-19(25-5)11-7-17/h6-13,16H,14-15H2,1-5H3,(H,23,24).
What are the key properties of 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 2960859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).