N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

C22H29NO3 — CID 100559902

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H29NO3/c1-15(2)20-9-6-16(3)12-21(20)26-14-22(24)23-10-11-25-19-8-7-17(4)18(5)13-19/h6-9,12-13,15H,10-11,14H2,1-5H3,(H,23,24)
InChIKeyKCNUFHAZXXFTDS-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.31
Rot. Bonds8

About N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide

N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (PubChem CID 100559902) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
PubChem CID100559902
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
SMILESCc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(C)c(C)c2)c1
InChIInChI=1S/C22H29NO3/c1-15(2)20-9-6-16(3)12-21(20)26-14-22(24)23-10-11-25-19-8-7-17(4)18(5)13-19/h6-9,12-13,15H,10-11,14H2,1-5H3,(H,23,24)
InChIKeyKCNUFHAZXXFTDS-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.31
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-(4-methylphenoxy)ethyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19174758
N-(3-ethoxypropyl)-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 78759998
2-(3,4-dimethylphenoxy)-N-[2-(3,5-dimethylphenoxy)ethyl]acetamide
CID 19174002
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
methyl N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]carbamate
CID 4280995
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
N-[3-(3-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 100532072
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78759979
N-[1-(3,4-dimethylphenyl)ethylideneamino]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 3986892
4-chloro-N-[2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]ethyl]benzamide
CID 34992949
N-[(3,5-dimethoxyphenyl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 46411942
(2R)-2-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]-N-propylpropanamide
CID 7581934

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide (CID 100559902) is N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is Cc1ccc(C(C)C)c(OCC(=O)NCCOc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
The InChIKey is KCNUFHAZXXFTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-15(2)20-9-6-16(3)12-21(20)26-14-22(24)23-10-11-25-19-8-7-17(4)18(5)13-19/h6-9,12-13,15H,10-11,14H2,1-5H3,(H,23,24).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide has a molecular weight of 355.48 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 100559902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).