(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide

C21H27NO2 — CID 93487721

IUPAC(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-4-19(24-20-10-6-5-8-17(20)3)21(23)22-15-7-9-18-13-11-16(2)12-14-18/h5-6,8,10-14,19H,4,7,9,15H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyQTAGXGMBCXWPKU-LJQANCHMSA-N
MW325.45 g/mol
LogP4.21
Rot. Bonds8

About (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide

(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide (PubChem CID 93487721) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
PubChem CID93487721
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
SMILESCC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-4-19(24-20-10-6-5-8-17(20)3)21(23)22-15-7-9-18-13-11-16(2)12-14-18/h5-6,8,10-14,19H,4,7,9,15H2,1-3H3,(H,22,23)/t19-/m1/s1
InChIKeyQTAGXGMBCXWPKU-LJQANCHMSA-N
XLogP4.21
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
4-[2-(2-methylphenoxy)butanoylamino]butanoic acid
CID 119352556
N-[3-(methylamino)propyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119434352
(2S)-2-(2,5-dimethylphenoxy)-N-[3-(3-methylphenyl)propyl]butanamide
CID 92673118
(2S)-2-(3-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide
CID 92681450
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
(2R)-2-(2,3-dimethylphenoxy)-N-[3-(4-propan-2-yloxyphenyl)propyl]butanamide
CID 92676986
2-(2-chlorophenoxy)-N-[3-(4-chlorophenyl)propyl]butanamide
CID 132762013
N-[3-(4-fluorophenyl)propyl]-2-(2-methoxyphenoxy)butanamide
CID 132652633
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
(2R)-2-(2-chlorophenoxy)-N-(3-phenylpropyl)butanamide
CID 94016511

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
The IUPAC name of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide (CID 93487721) is (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide.
What is the SMILES notation for (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
The canonical SMILES for (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide is CC[C@@H](Oc1ccccc1C)C(=O)NCCCc1ccc(C)cc1.
What is the InChIKey of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
The InChIKey is QTAGXGMBCXWPKU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H27NO2/c1-4-19(24-20-10-6-5-8-17(20)3)21(23)22-15-7-9-18-13-11-16(2)12-14-18/h5-6,8,10-14,19H,4,7,9,15H2,1-3H3,(H,22,23)/t19-/m1/s1.
What are the key properties of (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide?
(2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide has a molecular weight of 325.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methylphenoxy)-N-[3-(4-methylphenyl)propyl]butanamide is sourced from PubChem (CID 93487721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).