(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide

C19H23NO2 — CID 99132130

IUPAC(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23NO2/c1-13-6-5-7-17(9-13)12-20-19(21)16(4)22-18-10-14(2)8-15(3)11-18/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyRQGPVDFFKZUGJV-MRXNPFEDSA-N
MW297.40 g/mol
LogP3.70
Rot. Bonds5

About (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide

(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide (PubChem CID 99132130) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
PubChem CID99132130
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
SMILESCc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1
InChIInChI=1S/C19H23NO2/c1-13-6-5-7-17(9-13)12-20-19(21)16(4)22-18-10-14(2)8-15(3)11-18/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1
InChIKeyRQGPVDFFKZUGJV-MRXNPFEDSA-N
XLogP3.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
(2R)-2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 33278800
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
N-[(4-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)propanamide
CID 24511209
2-(3,5-dimethylphenoxy)-N-(pyridin-4-ylmethyl)propanamide
CID 53286403
N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
N-[[3-(2-ethoxyethoxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 55690197
dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
CID 9194529
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
ethane;2-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 169133923
(2S)-2-(3,5-dimethylphenoxy)-N-(2-methylpropyl)propanamide
CID 9181944

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide (CID 99132130) is (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide is Cc1cccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)c1.
What is the InChIKey of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
The InChIKey is RQGPVDFFKZUGJV-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H23NO2/c1-13-6-5-7-17(9-13)12-20-19(21)16(4)22-18-10-14(2)8-15(3)11-18/h5-11,16H,12H2,1-4H3,(H,20,21)/t16-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide?
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide has a molecular weight of 297.40 g/mol, XLogP of 3.70, 5 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-[(3-methylphenyl)methyl]propanamide is sourced from PubChem (CID 99132130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).