(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

C21H27NO2 — CID 94013055

IUPAC(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1
InChIInChI=1S/C21H27NO2/c1-13-7-9-19(10-8-13)17(5)22-21(23)18(6)24-20-12-14(2)11-15(3)16(20)4/h7-12,17-18H,1-6H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyNEYDLHQASFYLTO-ZWKOTPCHSA-N
MW325.45 g/mol
LogP4.56
Rot. Bonds5

About (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide

(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (PubChem CID 94013055) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
PubChem CID94013055
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1
InChIInChI=1S/C21H27NO2/c1-13-7-9-19(10-8-13)17(5)22-21(23)18(6)24-20-12-14(2)11-15(3)16(20)4/h7-12,17-18H,1-6H3,(H,22,23)/t17-,18+/m0/s1
InChIKeyNEYDLHQASFYLTO-ZWKOTPCHSA-N
XLogP4.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 28578729
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 43885781
(2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94018683
2-(2,4-dimethylphenoxy)-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 133165674
(2R)-N-benzhydryl-2-(2,3,5-trimethylphenoxy)propanamide
CID 92683815
(2R)-2-(5-methyl-2-propan-2-ylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 94057718
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28569351
N-[1-(4-tert-butylphenyl)ethyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133199972
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
(2R)-N-ethyl-2-(2,3,5-trimethylphenoxy)propanamide
CID 28631725
(2R)-2-(4-methylphenoxy)-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 40843072

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The IUPAC name of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide (CID 94013055) is (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide.
What is the SMILES notation for (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The canonical SMILES for (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is Cc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1.
What is the InChIKey of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
The InChIKey is NEYDLHQASFYLTO-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H27NO2/c1-13-7-9-19(10-8-13)17(5)22-21(23)18(6)24-20-12-14(2)11-15(3)16(20)4/h7-12,17-18H,1-6H3,(H,22,23)/t17-,18+/m0/s1.
What are the key properties of (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide?
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide is sourced from PubChem (CID 94013055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).