(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide

C20H25NO2 — CID 94843420

IUPAC(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C
InChIInChI=1S/C20H25NO2/c1-13-10-11-18(12-15(13)3)16(4)21-20(22)17(5)23-19-9-7-6-8-14(19)2/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyOPRYOOFHSNCKFE-IRXDYDNUSA-N
MW311.43 g/mol
LogP4.26
Rot. Bonds5

About (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide

(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide (PubChem CID 94843420) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
PubChem CID94843420
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C
InChIInChI=1S/C20H25NO2/c1-13-10-11-18(12-15(13)3)16(4)21-20(22)17(5)23-19-9-7-6-8-14(19)2/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m0/s1
InChIKeyOPRYOOFHSNCKFE-IRXDYDNUSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 17326587
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 17326610
(2R)-2-(3,4-dimethylphenoxy)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]propanamide
CID 94843433
(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 93487500
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 133166359
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
N-[1-(3,4-dimethylphenyl)propyl]-2-(2-methoxyphenoxy)propanamide
CID 132652272
(2R)-2-(2-methylphenoxy)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 30382529
N-[1-(3,4-dimethylphenyl)ethyl]-2-propan-2-yloxybenzamide
CID 132650471
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
(2S)-2-(2-methylphenoxy)-N-[(1R)-1-phenylpropyl]propanamide
CID 93234565
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide (CID 94843420) is (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide is Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccccc2C)cc1C.
What is the InChIKey of (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is OPRYOOFHSNCKFE-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-10-11-18(12-15(13)3)16(4)21-20(22)17(5)23-19-9-7-6-8-14(19)2/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide has a molecular weight of 311.43 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 94843420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).