N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C21H27NO3 — CID 19174758

IUPACN-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc(C(C)C)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)20-10-9-19(13-17(20)4)25-14-21(23)22-11-12-24-18-7-5-16(3)6-8-18/h5-10,13,15H,11-12,14H2,1-4H3,(H,22,23)
InChIKeyYOLXNRLKOYMAIX-UHFFFAOYSA-N
MW341.45 g/mol
LogP4.00
Rot. Bonds8

About N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 19174758) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID19174758
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(OCCNC(=O)COc2ccc(C(C)C)c(C)c2)cc1
InChIInChI=1S/C21H27NO3/c1-15(2)20-10-9-19(13-17(20)4)25-14-21(23)22-11-12-24-18-7-5-16(3)6-8-18/h5-10,13,15H,11-12,14H2,1-4H3,(H,22,23)
InChIKeyYOLXNRLKOYMAIX-UHFFFAOYSA-N
XLogP4.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.00
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-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100559902
N-[2-(3-methoxyphenoxy)ethyl]-2-(4-methylphenoxy)acetamide
CID 113099802
2-[[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]amino]acetic acid
CID 9170871
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
2-(4-methylphenoxy)-N-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]acetamide
CID 113101573
2-(4-methylphenoxy)-N-[2-(2,3,6-trimethylphenoxy)ethyl]acetamide
CID 113101131
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
2-(4-bromo-2,6-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]acetamide
CID 19175976
N-(1-hydroxypropan-2-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78857319
(2S,3S)-3-methyl-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylamino]pentanoic acid
CID 122099927
N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 19174758) is N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is Cc1ccc(OCCNC(=O)COc2ccc(C(C)C)c(C)c2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is YOLXNRLKOYMAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(2)20-10-9-19(13-17(20)4)25-14-21(23)22-11-12-24-18-7-5-16(3)6-8-18/h5-10,13,15H,11-12,14H2,1-4H3,(H,22,23).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 341.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 19174758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).