2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide

C22H29NO2 — CID 132652022

IUPAC2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C22H29NO2/c1-5-21(25-20-14-16(2)13-17(3)15-20)22(24)23-18(4)11-12-19-9-7-6-8-10-19/h6-10,13-15,18,21H,5,11-12H2,1-4H3,(H,23,24)
InChIKeyALOYHCHPHIOXRG-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.60
Rot. Bonds8

About 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide

2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide (PubChem CID 132652022) has the molecular formula C22H29NO2 and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide
PubChem CID132652022
Molecular FormulaC22H29NO2
Molecular Weight339.48 g/mol
Exact Mass339.22
IUPAC Name2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide
SMILESCCC(Oc1cc(C)cc(C)c1)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C22H29NO2/c1-5-21(25-20-14-16(2)13-17(3)15-20)22(24)23-18(4)11-12-19-9-7-6-8-10-19/h6-10,13-15,18,21H,5,11-12H2,1-4H3,(H,23,24)
InChIKeyALOYHCHPHIOXRG-UHFFFAOYSA-N
XLogP4.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenoxy)-N-(4-phenylbutan-2-yl)butanamide
CID 46763081
(2R)-2-(2-methylphenoxy)-N-[(2S)-4-phenylbutan-2-yl]butanamide
CID 28572865
(2S)-2-(3,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133215
2-(3,5-dimethylphenoxy)-N-(4-phenylmethoxyphenyl)butanamide
CID 132659061
(2S)-2-(4-methylphenoxy)-N-[(2S)-pentan-2-yl]butanamide
CID 9179988
2-(3,5-dimethylphenoxy)-N-[3-(4-propan-2-ylphenyl)propyl]butanamide
CID 132655072
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99133296
2-(3,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 132652025
N-butan-2-yl-2-[2-(3,5-dimethylphenoxy)butanoylamino]benzamide
CID 132657473
(2R)-2-phenoxy-N-[(2S)-4-phenylbutan-2-yl]propanamide
CID 807864
N-[1-(4-methylphenoxy)propan-2-yl]-2-phenoxybutanamide
CID 132651239
N-(5-benzyl-1,3-thiazol-2-yl)-2-(3,5-dimethylphenoxy)butanamide
CID 17034463

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide?
The IUPAC name of 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide (CID 132652022) is 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide is CCC(Oc1cc(C)cc(C)c1)C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide?
The InChIKey is ALOYHCHPHIOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO2/c1-5-21(25-20-14-16(2)13-17(3)15-20)22(24)23-18(4)11-12-19-9-7-6-8-10-19/h6-10,13-15,18,21H,5,11-12H2,1-4H3,(H,23,24).
What are the key properties of 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide?
2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide has a molecular weight of 339.48 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-N-(4-phenylbutan-2-yl)butanamide is sourced from PubChem (CID 132652022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).