(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide

C23H25NO2 — CID 28636082

IUPAC(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-21(18-11-6-5-7-12-18)24-23(25)22(4-2)26-20-15-14-17-10-8-9-13-19(17)16-20/h5-16,21-22H,3-4H2,1-2H3,(H,24,25)/t21-,22-/m0/s1
InChIKeyMWBNUPRZYNIJJJ-VXKWHMMOSA-N
MW347.46 g/mol
LogP5.26
Rot. Bonds7

About (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide

(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide (PubChem CID 28636082) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
PubChem CID28636082
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Name(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide
SMILESCC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccccc1
InChIInChI=1S/C23H25NO2/c1-3-21(18-11-6-5-7-12-18)24-23(25)22(4-2)26-20-15-14-17-10-8-9-13-19(17)16-20/h5-16,21-22H,3-4H2,1-2H3,(H,24,25)/t21-,22-/m0/s1
InChIKeyMWBNUPRZYNIJJJ-VXKWHMMOSA-N
XLogP5.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 17328429
(2R)-N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-naphthalen-2-yloxybutanamide
CID 7373963
(2R)-N-[(1R)-1-(4-methoxyphenyl)propyl]-2-(3-methylphenoxy)butanamide
CID 92682628
(2S)-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 92683395
2-(2-methylphenoxy)-N-(1-phenylpropyl)butanamide
CID 17328056
(2S)-2-(2-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99132381
(2S)-N-naphthalen-2-yl-2-naphthalen-2-yloxybutanamide
CID 99942620
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2S)-2-methoxy-N-[(1S)-1-naphthalen-2-ylpropyl]-2-phenylacetamide
CID 70094116
(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28580208
(2R)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]-2-naphthalen-2-yloxybutanamide
CID 92681531
(2S)-N-[(S)-(4-methoxyphenyl)-phenylmethyl]-2-phenoxybutanamide
CID 2243628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide?
The IUPAC name of (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide (CID 28636082) is (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide?
The canonical SMILES for (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide is CC[C@H](Oc1ccc2ccccc2c1)C(=O)N[C@@H](CC)c1ccccc1.
What is the InChIKey of (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide?
The InChIKey is MWBNUPRZYNIJJJ-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H25NO2/c1-3-21(18-11-6-5-7-12-18)24-23(25)22(4-2)26-20-15-14-17-10-8-9-13-19(17)16-20/h5-16,21-22H,3-4H2,1-2H3,(H,24,25)/t21-,22-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide?
(2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide has a molecular weight of 347.46 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-naphthalen-2-yloxy-N-[(1S)-1-phenylpropyl]butanamide is sourced from PubChem (CID 28636082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).