N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

C21H27NO3 — CID 133239821

IUPACN-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cccc(OCCNC(=O)C(C)Oc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C21H27NO3/c1-14-7-6-8-19(12-14)24-10-9-22-21(23)18(5)25-20-13-15(2)11-16(3)17(20)4/h6-8,11-13,18H,9-10H2,1-5H3,(H,22,23)
InChIKeyXNWUWOSTCOHFCB-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 133239821) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound NameN-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID133239821
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1cccc(OCCNC(=O)C(C)Oc2cc(C)cc(C)c2C)c1
InChIInChI=1S/C21H27NO3/c1-14-7-6-8-19(12-14)24-10-9-22-21(23)18(5)25-20-13-15(2)11-16(3)17(20)4/h6-8,11-13,18H,9-10H2,1-5H3,(H,22,23)
InChIKeyXNWUWOSTCOHFCB-UHFFFAOYSA-N
XLogP3.88
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.88
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-(2,3-dimethylphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 133165885
2-(2-methoxyphenoxy)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 133219180
(2R)-N-[2-(4-fluorophenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 37363339
(2R)-N-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)propanamide
CID 38451380
N-[(3-propan-2-yloxyphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43904321
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
N-[2-(4-methylphenoxy)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133265071
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
N-[2-(3,5-dimethylphenoxy)ethyl]-2-(4-methylphenoxy)propanamide
CID 133240246

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 133239821) is N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1cccc(OCCNC(=O)C(C)Oc2cc(C)cc(C)c2C)c1.
What is the InChIKey of N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is XNWUWOSTCOHFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-14-7-6-8-19(12-14)24-10-9-22-21(23)18(5)25-20-13-15(2)11-16(3)17(20)4/h6-8,11-13,18H,9-10H2,1-5H3,(H,22,23).
What are the key properties of N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenoxy)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 133239821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).