(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide

C21H27NO2 — CID 94843776

IUPAC(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-6-20(18-9-7-14(2)8-10-18)22-21(23)17(5)24-19-12-15(3)11-16(4)13-19/h7-13,17,20H,6H2,1-5H3,(H,22,23)/t17-,20-/m1/s1
InChIKeyRGUFYOJJJDOGQT-YLJYHZDGSA-N
MW325.45 g/mol
LogP4.65
Rot. Bonds6

About (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide

(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide (PubChem CID 94843776) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
PubChem CID94843776
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
SMILESCC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1
InChIInChI=1S/C21H27NO2/c1-6-20(18-9-7-14(2)8-10-18)22-21(23)17(5)24-19-12-15(3)11-16(4)13-19/h7-13,17,20H,6H2,1-5H3,(H,22,23)/t17-,20-/m1/s1
InChIKeyRGUFYOJJJDOGQT-YLJYHZDGSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(4-methylphenoxy)propanamide
CID 28956661
2-(4-fluorophenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328401
(2S)-2-(4-chlorophenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 99130933
(2S)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methylphenyl)propyl]propanamide
CID 99130932
2-(4-chloro-3-methylphenoxy)-N-[1-(4-methylphenyl)propyl]propanamide
CID 17328406
2-(3,5-dimethylphenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]propanamide
CID 133191614
(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-methylphenyl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 17328405
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2R)-N-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]propyl]-2-(4-chloro-3,5-dimethylphenoxy)propanamide
CID 27522422
2-methyl-N-[1-(4-methylphenyl)propyl]butanamide
CID 134024126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide (CID 94843776) is (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide is CC[C@@H](NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1)c1ccc(C)cc1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
The InChIKey is RGUFYOJJJDOGQT-YLJYHZDGSA-N. The full InChI is InChI=1S/C21H27NO2/c1-6-20(18-9-7-14(2)8-10-18)22-21(23)17(5)24-19-12-15(3)11-16(4)13-19/h7-13,17,20H,6H2,1-5H3,(H,22,23)/t17-,20-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide?
(2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide has a molecular weight of 325.45 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide is sourced from PubChem (CID 94843776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).