(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide

C21H27NO3 — CID 99954014

IUPAC(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C21H27NO3/c1-15(2)18-11-7-9-13-20(18)25-16(3)21(23)22(4)14-17-10-6-8-12-19(17)24-5/h6-13,15-16H,14H2,1-5H3/t16-/m0/s1
InChIKeyOMUNLXJEUWPULI-INIZCTEOSA-N
MW341.45 g/mol
LogP4.24
Rot. Bonds7

About (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide

(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide (PubChem CID 99954014) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
PubChem CID99954014
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC Name(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
SMILESCOc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccccc1C(C)C
InChIInChI=1S/C21H27NO3/c1-15(2)18-11-7-9-13-20(18)25-16(3)21(23)22(4)14-17-10-6-8-12-19(17)24-5/h6-13,15-16H,14H2,1-5H3/t16-/m0/s1
InChIKeyOMUNLXJEUWPULI-INIZCTEOSA-N
XLogP4.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide
CID 132761048
(2R)-2-(2-ethylphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 92672742
(2S)-2-(4-methoxyphenoxy)-N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 42093583
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(4-methylphenoxy)propanamide
CID 43905077
(2R)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(3-methylphenoxy)propanamide
CID 93486431
(2R)-N,N-dimethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 94011896
3-(ethylamino)-N-[(2-methoxyphenyl)methyl]-N,2-dimethylpropanamide
CID 62852033
N-[(2-fluorophenyl)methyl]-N-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 75893243
(2S)-N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-propan-2-ylphenoxy)propanamide
CID 97267437
(2R)-N-ethyl-2-(2-propan-2-ylphenoxy)propanamide
CID 92685149
(2S)-2-amino-N-[(2-methoxyphenyl)methyl]-N,4-dimethylpentanamide;hydrochloride
CID 119681273
N-benzyl-2-(2-ethylphenoxy)-N-methylpropanamide
CID 132760201

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide?
The IUPAC name of (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide (CID 99954014) is (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide?
The canonical SMILES for (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide is COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccccc1C(C)C.
What is the InChIKey of (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide?
The InChIKey is OMUNLXJEUWPULI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H27NO3/c1-15(2)18-11-7-9-13-20(18)25-16(3)21(23)22(4)14-17-10-6-8-12-19(17)24-5/h6-13,15-16H,14H2,1-5H3/t16-/m0/s1.
What are the key properties of (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide?
(2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide has a molecular weight of 341.45 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-methoxyphenyl)methyl]-N-methyl-2-(2-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 99954014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).