2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide

C23H31NO3 — CID 133165284

IUPAC2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C23H31NO3/c1-6-20(27-22-15-17(4)11-12-18(22)5)23(25)24-13-14-26-21-10-8-7-9-19(21)16(2)3/h7-12,15-16,20H,6,13-14H2,1-5H3,(H,24,25)
InChIKeySEJHFIAAQPLTNR-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.78
Rot. Bonds9

About 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide

2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide (PubChem CID 133165284) has the molecular formula C23H31NO3 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
PubChem CID133165284
Molecular FormulaC23H31NO3
Molecular Weight369.51 g/mol
Exact Mass369.23
IUPAC Name2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
SMILESCCC(Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1C(C)C
InChIInChI=1S/C23H31NO3/c1-6-20(27-22-15-17(4)11-12-18(22)5)23(25)24-13-14-26-21-10-8-7-9-19(21)16(2)3/h7-12,15-16,20H,6,13-14H2,1-5H3,(H,24,25)
InChIKeySEJHFIAAQPLTNR-UHFFFAOYSA-N
XLogP4.78
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 ≤ 54.78
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-(4-fluorophenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165278
1-(2,5-dimethylphenyl)-3-[2-(2-propan-2-ylphenoxy)ethyl]urea
CID 112972269
2-(2,5-dimethylphenoxy)-N-(2-methylpropyl)butanamide
CID 53284304
2-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide
CID 133165331
(2S)-2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]butanamide
CID 92682902
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
2-(2,5-dimethylphenoxy)-N-(furan-2-ylmethyl)butanamide
CID 53284498
2-amino-3-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pentanamide
CID 119784411
(2S)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-phenylethyl]butanamide
CID 28564545
2-(2,4-dimethylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 132652207
2-(2,5-dimethylphenoxy)butanehydrazide
CID 54792983
(2S)-2-(2,5-dimethylphenoxy)-N-[(S)-(2-methylphenyl)-phenylmethyl]butanamide
CID 28574921

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide (CID 133165284) is 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide is CCC(Oc1cc(C)ccc1C)C(=O)NCCOc1ccccc1C(C)C.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
The InChIKey is SEJHFIAAQPLTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO3/c1-6-20(27-22-15-17(4)11-12-18(22)5)23(25)24-13-14-26-21-10-8-7-9-19(21)16(2)3/h7-12,15-16,20H,6,13-14H2,1-5H3,(H,24,25).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide?
2-(2,5-dimethylphenoxy)-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide has a molecular weight of 369.51 g/mol, XLogP of 4.78, 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-[2-(2-propan-2-ylphenoxy)ethyl]butanamide is sourced from PubChem (CID 133165284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).