(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

C24H27NO3 — CID 92683395

IUPAC(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H27NO3/c1-4-23(28-22-15-12-19-8-6-7-9-20(19)16-22)24(26)25-17(3)18-10-13-21(14-11-18)27-5-2/h6-17,23H,4-5H2,1-3H3,(H,25,26)/t17-,23+/m1/s1
InChIKeySQDAWKYVIFRBOG-HXOBKFHXSA-N
MW377.48 g/mol
LogP5.27
Rot. Bonds8

About (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide

(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (PubChem CID 92683395) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
PubChem CID92683395
Molecular FormulaC24H27NO3
Molecular Weight377.48 g/mol
Exact Mass377.20
IUPAC Name(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
SMILESCCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H27NO3/c1-4-23(28-22-15-12-19-8-6-7-9-20(19)16-22)24(26)25-17(3)18-10-13-21(14-11-18)27-5-2/h6-17,23H,4-5H2,1-3H3,(H,25,26)/t17-,23+/m1/s1
InChIKeySQDAWKYVIFRBOG-HXOBKFHXSA-N
XLogP5.27
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.48
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-ethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 43876210
N-[1-(4-ethoxyphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 46770805
N-(4-ethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 53284524
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 133189081
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 38019155
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
CID 28636082
N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 17328429

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The IUPAC name of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide (CID 92683395) is (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide.
What is the SMILES notation for (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The canonical SMILES for (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
The InChIKey is SQDAWKYVIFRBOG-HXOBKFHXSA-N. The full InChI is InChI=1S/C24H27NO3/c1-4-23(28-22-15-12-19-8-6-7-9-20(19)16-22)24(26)25-17(3)18-10-13-21(14-11-18)27-5-2/h6-17,23H,4-5H2,1-3H3,(H,25,26)/t17-,23+/m1/s1.
What are the key properties of (2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide?
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide has a molecular weight of 377.48 g/mol, XLogP of 5.27, 8 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-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide is sourced from PubChem (CID 92683395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).