(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide

C21H27NO3 — CID 99132320

IUPAC(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-6-19(17-8-10-18(24-5)11-9-17)22-21(23)16(4)25-20-12-7-14(2)13-15(20)3/h7-13,16,19H,6H2,1-5H3,(H,22,23)/t16-,19-/m0/s1
InChIKeyZBEOKRIOLANFHG-LPHOPBHVSA-N
MW341.45 g/mol
LogP4.35
Rot. Bonds7

About (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide

(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide (PubChem CID 99132320) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
PubChem CID99132320
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide
SMILESCC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)cc1
InChIInChI=1S/C21H27NO3/c1-6-19(17-8-10-18(24-5)11-9-17)22-21(23)16(4)25-20-12-7-14(2)13-15(20)3/h7-13,16,19H,6H2,1-5H3,(H,22,23)/t16-,19-/m0/s1
InChIKeyZBEOKRIOLANFHG-LPHOPBHVSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
2-(2,5-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133201746
(2R)-2-(2,5-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 92675499
(2R)-2-(2,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 92675498
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 133166359
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(3-methoxyphenoxy)propanamide
CID 133186771
(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 133160157
N-[1-(4-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772095
(2R)-2-(4-chloro-3-methylphenoxy)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 100772091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide?
The IUPAC name of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide (CID 99132320) is (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide.
What is the SMILES notation for (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide?
The canonical SMILES for (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide is CC[C@H](NC(=O)[C@H](C)Oc1ccc(C)cc1C)c1ccc(OC)cc1.
What is the InChIKey of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide?
The InChIKey is ZBEOKRIOLANFHG-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H27NO3/c1-6-19(17-8-10-18(24-5)11-9-17)22-21(23)16(4)25-20-12-7-14(2)13-15(20)3/h7-13,16,19H,6H2,1-5H3,(H,22,23)/t16-,19-/m0/s1.
What are the key properties of (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide?
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)propyl]propanamide is sourced from PubChem (CID 99132320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).