N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide

C22H29NO4 — CID 133239855

IUPACN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(OC(C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-16(27-20-8-6-7-19(15-20)25-5)21(24)23-13-14-26-18-11-9-17(10-12-18)22(2,3)4/h6-12,15-16H,13-14H2,1-5H3,(H,23,24)
InChIKeyRCRBLNPYICOENN-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.96
Rot. Bonds8

About N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide

N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide (PubChem CID 133239855) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
PubChem CID133239855
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(OC(C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C22H29NO4/c1-16(27-20-8-6-7-19(15-20)25-5)21(24)23-13-14-26-18-11-9-17(10-12-18)22(2,3)4/h6-12,15-16H,13-14H2,1-5H3,(H,23,24)
InChIKeyRCRBLNPYICOENN-UHFFFAOYSA-N
XLogP3.96
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
N-[2-(4-tert-butylphenoxy)ethyl]-2-naphthalen-1-yloxypropanamide
CID 133164585
(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
(2R)-N-(2-tert-butylsulfanylethyl)-2-(3-methoxyphenoxy)propanamide
CID 28635088
2-(4-tert-butylphenoxy)-N-[2-(2-chlorophenoxy)ethyl]propanamide
CID 133164114
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
(2S)-2-(3-fluorophenoxy)-N-(2-phenoxyethyl)propanamide
CID 30865784
(2S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100561256
N-[2-(4-tert-butylphenoxy)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 133185593
N-[2-(4-tert-butylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133185590
(2S)-2-(3-chlorophenoxy)-N-[2-(4-methylphenoxy)ethyl]propanamide
CID 30794885
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide (CID 133239855) is N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide is COc1cccc(OC(C)C(=O)NCCOc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide?
The InChIKey is RCRBLNPYICOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-16(27-20-8-6-7-19(15-20)25-5)21(24)23-13-14-26-18-11-9-17(10-12-18)22(2,3)4/h6-12,15-16H,13-14H2,1-5H3,(H,23,24).
What are the key properties of N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide?
N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide has a molecular weight of 371.48 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenoxy)ethyl]-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 133239855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).