(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide

C20H25NO3 — CID 92682211

IUPAC(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-4-17(24-18-12-8-6-10-15(18)3)20(22)21-14-16-11-7-9-13-19(16)23-5-2/h6-13,17H,4-5,14H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyXRGGMGRIWXJFSU-KRWDZBQOSA-N
MW327.42 g/mol
LogP3.87
Rot. Bonds8

About (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide

(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide (PubChem CID 92682211) has the molecular formula C20H25NO3 and a molecular weight of 327.42 g/mol. Its IUPAC name is (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
PubChem CID92682211
Molecular FormulaC20H25NO3
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
SMILESCCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccccc1C
InChIInChI=1S/C20H25NO3/c1-4-17(24-18-12-8-6-10-15(18)3)20(22)21-14-16-11-7-9-13-19(16)23-5-2/h6-13,17H,4-5,14H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyXRGGMGRIWXJFSU-KRWDZBQOSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide
CID 53284919
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257
2-(2-methylphenoxy)-N-propylbutanamide
CID 43909851
2-(2-methylphenoxy)-N-[3-(2-propoxyphenyl)propyl]butanamide
CID 132655453
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244
(2R)-N-(1H-imidazol-2-ylmethyl)-2-(2-methylphenoxy)butanamide
CID 97025150
(2S)-2-(2-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 96528839
2-(2,3-dimethylphenoxy)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43885247
N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)acetamide
CID 46778184
3-[2-(2-methylphenoxy)butanoylamino]propanoic acid
CID 119351050

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide?
The IUPAC name of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide (CID 92682211) is (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide?
The canonical SMILES for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide is CCOc1ccccc1CNC(=O)[C@H](CC)Oc1ccccc1C.
What is the InChIKey of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide?
The InChIKey is XRGGMGRIWXJFSU-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H25NO3/c1-4-17(24-18-12-8-6-10-15(18)3)20(22)21-14-16-11-7-9-13-19(16)23-5-2/h6-13,17H,4-5,14H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide?
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide has a molecular weight of 327.42 g/mol, XLogP of 3.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methylphenoxy)butanamide is sourced from PubChem (CID 92682211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).