2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide

C22H23NO2 — CID 133218986

IUPAC2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cccc3ccccc23)c1C
InChIInChI=1S/C22H23NO2/c1-15-8-6-13-21(16(15)2)25-17(3)22(24)23-14-19-11-7-10-18-9-4-5-12-20(18)19/h4-13,17H,14H2,1-3H3,(H,23,24)
InChIKeyAHUITYFUSRZGMB-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.54
Rot. Bonds5

About 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide

2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide (PubChem CID 133218986) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
PubChem CID133218986
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cccc3ccccc23)c1C
InChIInChI=1S/C22H23NO2/c1-15-8-6-13-21(16(15)2)25-17(3)22(24)23-14-19-11-7-10-18-9-4-5-12-20(18)19/h4-13,17H,14H2,1-3H3,(H,23,24)
InChIKeyAHUITYFUSRZGMB-UHFFFAOYSA-N
XLogP4.54
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-benzyl-2-(2,3-dimethylphenoxy)propanamide
CID 888814
2-(2,3-dimethylphenoxy)-N'-(2-naphthalen-1-ylacetyl)propanehydrazide
CID 24634640
2-(2,3-dimethylphenoxy)-N-[(2-ethoxyphenyl)methyl]propanamide
CID 43885247
(2S)-N-[(4-chlorophenyl)methyl]-2-(2,3-dimethylphenoxy)propanamide
CID 26546234
2-(2,3-dimethylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 132656072
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
2-(2-methylphenoxy)-N-(2-naphthalen-1-yloxyethyl)propanamide
CID 133220515
(2R)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxypropanamide
CID 94015852
2-naphthalen-1-yloxy-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 132660138
(2R)-N-[(2-methylphenyl)methyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 92675244
2-(4-bromophenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133217264
(2S)-2-(2,3-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]propanamide
CID 99131504

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The IUPAC name of 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide (CID 133218986) is 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide.
What is the SMILES notation for 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The canonical SMILES for 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide is Cc1cccc(OC(C)C(=O)NCc2cccc3ccccc23)c1C.
What is the InChIKey of 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
The InChIKey is AHUITYFUSRZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO2/c1-15-8-6-13-21(16(15)2)25-17(3)22(24)23-14-19-11-7-10-18-9-4-5-12-20(18)19/h4-13,17H,14H2,1-3H3,(H,23,24).
What are the key properties of 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide?
2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide has a molecular weight of 333.43 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide is sourced from PubChem (CID 133218986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).