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

C22H23NO3 — CID 28633960

IUPAC(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO3/c1-15(17-11-13-19(25-3)14-12-17)23-22(24)16(2)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-16H,1-3H3,(H,23,24)/t15-,16+/m1/s1
InChIKeyHZWYYDVLVMUZCY-CVEARBPZSA-N
MW349.43 g/mol
LogP4.49
Rot. Bonds6

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

(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide (PubChem CID 28633960) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
PubChem CID28633960
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Name(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
SMILESCOc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C22H23NO3/c1-15(17-11-13-19(25-3)14-12-17)23-22(24)16(2)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-16H,1-3H3,(H,23,24)/t15-,16+/m1/s1
InChIKeyHZWYYDVLVMUZCY-CVEARBPZSA-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

(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959
(2S)-N-[(1S)-1-(4-methylphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28569351
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
CID 92671905
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxypropanamide
CID 92674006
(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-(4-fluorophenyl)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 99132204
(2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-(4-methylphenoxy)propanamide
CID 92680833
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

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide (CID 28633960) is (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide is COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
The InChIKey is HZWYYDVLVMUZCY-CVEARBPZSA-N. The full InChI is InChI=1S/C22H23NO3/c1-15(17-11-13-19(25-3)14-12-17)23-22(24)16(2)26-21-10-6-8-18-7-4-5-9-20(18)21/h4-16H,1-3H3,(H,23,24)/t15-,16+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide?
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-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-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 28633960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).