(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide

C21H27NO2 — CID 38016327

IUPAC(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C
InChIInChI=1S/C21H27NO2/c1-6-20(24-18-9-7-8-14(2)12-18)21(23)22-17(5)19-13-15(3)10-11-16(19)4/h7-13,17,20H,6H2,1-5H3,(H,22,23)/t17-,20+/m1/s1
InChIKeyXKIVLSNXQWPOCO-XLIONFOSSA-N
MW325.45 g/mol
LogP4.65
Rot. Bonds6

About (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide

(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide (PubChem CID 38016327) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
PubChem CID38016327
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C
InChIInChI=1S/C21H27NO2/c1-6-20(24-18-9-7-8-14(2)12-18)21(23)22-17(5)19-13-15(3)10-11-16(19)4/h7-13,17,20H,6H2,1-5H3,(H,22,23)/t17-,20+/m1/s1
InChIKeyXKIVLSNXQWPOCO-XLIONFOSSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 26171764
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 28631604
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxybutanamide
CID 99132936
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-naphthalen-1-yloxybutanamide
CID 28632313
(2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 100766872
(2S)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]butanamide
CID 94011676
(2R)-N-[(S)-(2,5-dimethylphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 7366385
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012275
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(3-methylphenoxy)butanamide
CID 94012273
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]butanamide
CID 125052862
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide (CID 38016327) is (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H](C)c1cc(C)ccc1C.
What is the InChIKey of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide?
The InChIKey is XKIVLSNXQWPOCO-XLIONFOSSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-20(24-18-9-7-8-14(2)12-18)21(23)22-17(5)19-13-15(3)10-11-16(19)4/h7-13,17,20H,6H2,1-5H3,(H,22,23)/t17-,20+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide?
(2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide has a molecular weight of 325.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(3-methylphenoxy)butanamide is sourced from PubChem (CID 38016327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).