2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide

C23H31NO3 — CID 132655449

IUPAC2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C23H31NO3/c1-16(2)26-21-12-10-20(11-13-21)7-6-14-24-23(25)19(5)27-22-15-17(3)8-9-18(22)4/h8-13,15-16,19H,6-7,14H2,1-5H3,(H,24,25)
InChIKeyOBYOVNKPXKHQQQ-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.61
Rot. Bonds9

About 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide

2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide (PubChem CID 132655449) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
PubChem CID132655449
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
SMILESCc1ccc(C)c(OC(C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1
InChIInChI=1S/C23H31NO3/c1-16(2)26-21-12-10-20(11-13-21)7-6-14-24-23(25)19(5)27-22-15-17(3)8-9-18(22)4/h8-13,15-16,19H,6-7,14H2,1-5H3,(H,24,25)
InChIKeyOBYOVNKPXKHQQQ-UHFFFAOYSA-N
XLogP4.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.61
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

2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104
(2R)-2-(2,5-dimethylphenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 40771491
2-(4-fluorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 132654154
2-(5-methyl-2-propan-2-ylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]propanamide
CID 133202318
(2R)-N-[3-(4-chlorophenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 99950551
2-(3-chlorophenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 43876417
2-chloro-4-methyl-N-[3-(4-propan-2-yloxyphenyl)propyl]benzamide
CID 100521910
(2S)-N-[3-(4-chlorophenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 93487077
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
(2S)-2-(2,5-dimethylphenoxy)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 95706385
(2R)-2-[4-[methyl(methylsulfonyl)amino]phenoxy]-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide
CID 100662126
N-[3-(3,4-dimethoxyphenyl)propyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 132658160

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide (CID 132655449) is 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide is Cc1ccc(C)c(OC(C)C(=O)NCCCc2ccc(OC(C)C)cc2)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
The InChIKey is OBYOVNKPXKHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-16(2)26-21-12-10-20(11-13-21)7-6-14-24-23(25)19(5)27-22-15-17(3)8-9-18(22)4/h8-13,15-16,19H,6-7,14H2,1-5H3,(H,24,25).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide?
2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]propanamide is sourced from PubChem (CID 132655449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).