(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide

C22H23NO2 — CID 28569351

IUPAC(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-15-11-13-18(14-12-15)16(2)23-22(24)17(3)25-21-10-6-8-19-7-4-5-9-20(19)21/h4-14,16-17H,1-3H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyWKWJLMSFLDHEPU-IRXDYDNUSA-N
MW333.43 g/mol
LogP4.79
Rot. Bonds5

About (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide

(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide (PubChem CID 28569351) has the molecular formula C22H23NO2 and a molecular weight of 333.43 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
PubChem CID28569351
Molecular FormulaC22H23NO2
Molecular Weight333.43 g/mol
Exact Mass333.17
IUPAC Name(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
SMILESCc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO2/c1-15-11-13-18(14-12-15)16(2)23-22(24)17(3)25-21-10-6-8-19-7-4-5-9-20(19)21/h4-14,16-17H,1-3H3,(H,23,24)/t16-,17-/m0/s1
InChIKeyWKWJLMSFLDHEPU-IRXDYDNUSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633960
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
(2R)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-(2,3,5-trimethylphenoxy)propanamide
CID 94013055
(2S)-2-(2,3-dimethylphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 28984413
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
(2R)-2-(2-ethylphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]propanamide
CID 92682028
(2R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
(2S)-N-[(1S)-1-(4-tert-butylphenyl)ethyl]-2-(2-ethylphenoxy)propanamide
CID 30397880
(2S)-2-(2-ethylphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]propanamide
CID 28632091
(2S)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980355
(2R)-2-naphthalen-1-yloxypropanoyl chloride
CID 51980356

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide (CID 28569351) is (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide is Cc1ccc([C@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
The InChIKey is WKWJLMSFLDHEPU-IRXDYDNUSA-N. The full InChI is InChI=1S/C22H23NO2/c1-15-11-13-18(14-12-15)16(2)23-22(24)17(3)25-21-10-6-8-19-7-4-5-9-20(19)21/h4-14,16-17H,1-3H3,(H,23,24)/t16-,17-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide has a molecular weight of 333.43 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 28569351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).