(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide

C15H23NO3 — CID 99953946

IUPAC(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@H](C)Oc1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-7-11(2)16-15(17)12(3)19-14-9-6-8-13(10-14)18-4/h6,8-12H,5,7H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyXLIAMHBXVFJWAH-RYUDHWBXSA-N
MW265.35 g/mol
LogP2.77
Rot. Bonds7

About (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide

(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide (PubChem CID 99953946) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
PubChem CID99953946
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
SMILESCCC[C@H](C)NC(=O)[C@H](C)Oc1cccc(OC)c1
InChIInChI=1S/C15H23NO3/c1-5-7-11(2)16-15(17)12(3)19-14-9-6-8-13(10-14)18-4/h6,8-12H,5,7H2,1-4H3,(H,16,17)/t11-,12-/m0/s1
InChIKeyXLIAMHBXVFJWAH-RYUDHWBXSA-N
XLogP2.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-methoxyphenoxy)-N-propylpropanamide
CID 30392232
2-(3-formylphenoxy)-N-pentan-2-ylpropanamide
CID 43112275
2-[3-(methylaminomethyl)phenoxy]-N-pentan-2-ylpropanamide
CID 43278238
2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
(2R)-N-[(2S)-butan-2-yl]-2-(4-methoxyphenoxy)propanamide
CID 925169
(2S)-2-(3-chlorophenoxy)-N-[(2R)-heptan-2-yl]propanamide
CID 40537766
2-(3-chlorophenoxy)-N-heptan-2-ylpropanamide
CID 4097223

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The IUPAC name of (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide (CID 99953946) is (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The canonical SMILES for (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide is CCC[C@H](C)NC(=O)[C@H](C)Oc1cccc(OC)c1.
What is the InChIKey of (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
The InChIKey is XLIAMHBXVFJWAH-RYUDHWBXSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-7-11(2)16-15(17)12(3)19-14-9-6-8-13(10-14)18-4/h6,8-12H,5,7H2,1-4H3,(H,16,17)/t11-,12-/m0/s1.
What are the key properties of (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide?
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide has a molecular weight of 265.35 g/mol, XLogP of 2.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide is sourced from PubChem (CID 99953946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).