(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide

C25H29NO3 — CID 92671905

IUPAC(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C25H29NO3/c1-17(2)16-23(20-12-14-21(28-4)15-13-20)26-25(27)18(3)29-24-11-7-9-19-8-5-6-10-22(19)24/h5-15,17-18,23H,16H2,1-4H3,(H,26,27)/t18-,23-/m0/s1
InChIKeyYPLCZXOWKBWDQY-MBSDFSHPSA-N
MW391.51 g/mol
LogP5.52
Rot. Bonds8

About (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide

(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide (PubChem CID 92671905) has the molecular formula C25H29NO3 and a molecular weight of 391.51 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
PubChem CID92671905
Molecular FormulaC25H29NO3
Molecular Weight391.51 g/mol
Exact Mass391.21
IUPAC Name(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide
SMILESCOc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1
InChIInChI=1S/C25H29NO3/c1-17(2)16-23(20-12-14-21(28-4)15-13-20)26-25(27)18(3)29-24-11-7-9-19-8-5-6-10-22(19)24/h5-15,17-18,23H,16H2,1-4H3,(H,26,27)/t18-,23-/m0/s1
InChIKeyYPLCZXOWKBWDQY-MBSDFSHPSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.51
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(2-methylphenoxy)propanamide
CID 93487722
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633960
(2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxypropanamide
CID 28633959
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-2-yloxypropanamide
CID 94018574
(2R)-2-(4-fluorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92685363
(2R)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]-2-(4-methylphenoxy)propanamide
CID 92679616
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
2-(4-bromophenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132666166
2-(3,4-dimethylphenoxy)-N-[1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 132655454
(2R)-2-(4-tert-butylphenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 28566665
N-[1-(4-methoxyphenyl)-3-methylbutyl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 133160250

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide?
The IUPAC name of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide (CID 92671905) is (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide?
The canonical SMILES for (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide is COc1ccc([C@H](CC(C)C)NC(=O)[C@H](C)Oc2cccc3ccccc23)cc1.
What is the InChIKey of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide?
The InChIKey is YPLCZXOWKBWDQY-MBSDFSHPSA-N. The full InChI is InChI=1S/C25H29NO3/c1-17(2)16-23(20-12-14-21(28-4)15-13-20)26-25(27)18(3)29-24-11-7-9-19-8-5-6-10-22(19)24/h5-15,17-18,23H,16H2,1-4H3,(H,26,27)/t18-,23-/m0/s1.
What are the key properties of (2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide?
(2S)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide has a molecular weight of 391.51 g/mol, XLogP of 5.52, 8 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)-3-methylbutyl]-2-naphthalen-1-yloxypropanamide is sourced from PubChem (CID 92671905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).