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

C22H23NO3 — CID 92674006

IUPAC(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO3/c1-15(17-8-11-20(25-3)12-9-17)23-22(24)16(2)26-21-13-10-18-6-4-5-7-19(18)14-21/h4-16H,1-3H3,(H,23,24)/t15-,16-/m0/s1
InChIKeyATQZXIVBIOILJV-HOTGVXAUSA-N
MW349.43 g/mol
LogP4.49
Rot. Bonds6

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

(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide (PubChem CID 92674006) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
PubChem CID92674006
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
SMILESCOc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H23NO3/c1-15(17-8-11-20(25-3)12-9-17)23-22(24)16(2)26-21-13-10-18-6-4-5-7-19(18)14-21/h4-16H,1-3H3,(H,23,24)/t15-,16-/m0/s1
InChIKeyATQZXIVBIOILJV-HOTGVXAUSA-N
XLogP4.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 46763869
(2S)-2-(3-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)ethyl]propanamide
CID 93486457
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671742
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)propanamide
CID 92671745
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 29459815
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
(2R)-2-(4-chlorophenoxy)-N-[(1R)-1-naphthalen-2-ylethyl]propanamide
CID 8025361
2-(4-chlorophenoxy)-N-[1-(4-methoxyphenyl)ethyl]propanamide
CID 53282264
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
(2S)-2-(4-bromophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 94843875
(2R)-2-(4-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]propanamide
CID 99130919

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide (CID 92674006) is (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide is COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide?
The InChIKey is ATQZXIVBIOILJV-HOTGVXAUSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15(17-8-11-20(25-3)12-9-17)23-22(24)16(2)26-21-13-10-18-6-4-5-7-19(18)14-21/h4-16H,1-3H3,(H,23,24)/t15-,16-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide?
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide has a molecular weight of 349.43 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide is sourced from PubChem (CID 92674006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).