(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide

C20H25NO2 — CID 93487500

IUPAC(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)c1
InChIInChI=1S/C20H25NO2/c1-13-10-11-14(2)18(12-13)16(4)21-20(22)17(5)23-19-9-7-6-8-15(19)3/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyDNHROVYWESDTBG-IAGOWNOFSA-N
MW311.43 g/mol
LogP4.26
Rot. Bonds5

About (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide

(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide (PubChem CID 93487500) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
PubChem CID93487500
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name(2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
SMILESCc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)c1
InChIInChI=1S/C20H25NO2/c1-13-10-11-14(2)18(12-13)16(4)21-20(22)17(5)23-19-9-7-6-8-15(19)3/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m1/s1
InChIKeyDNHROVYWESDTBG-IAGOWNOFSA-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

(2S)-2-(2,3-dimethylphenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843598
(2R)-2-(2-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 94843604
N-[1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 17327347
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94018683
2-(2,4-dimethylphenoxy)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 133231101
(2S)-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 94843420
N-[1-(3,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide
CID 17326587
(2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 94843715
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]propanamide
CID 99130938
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
(2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(2-methylphenoxy)butanamide
CID 92682866
(2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-phenoxypropanamide
CID 94843687

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide (CID 93487500) is (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide is Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2C)c1.
What is the InChIKey of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
The InChIKey is DNHROVYWESDTBG-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H25NO2/c1-13-10-11-14(2)18(12-13)16(4)21-20(22)17(5)23-19-9-7-6-8-15(19)3/h6-12,16-17H,1-5H3,(H,21,22)/t16-,17-/m1/s1.
What are the key properties of (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide?
(2R)-N-[(1R)-1-(2,5-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 (2R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-2-(2-methylphenoxy)propanamide is sourced from PubChem (CID 93487500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).