(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide

C16H19NO2 — CID 92675039

IUPAC(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
SMILESCCNC(=O)[C@H](CC)Oc1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-14(16(18)17-4-2)19-15-11-7-9-12-8-5-6-10-13(12)15/h5-11,14H,3-4H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeySJJNUZLLAPGEIC-AWEZNQCLSA-N
MW257.33 g/mol
LogP3.13
Rot. Bonds5

About (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide

(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide (PubChem CID 92675039) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
PubChem CID92675039
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
SMILESCCNC(=O)[C@H](CC)Oc1cccc2ccccc12
InChIInChI=1S/C16H19NO2/c1-3-14(16(18)17-4-2)19-15-11-7-9-12-8-5-6-10-13(12)15/h5-11,14H,3-4H2,1-2H3,(H,17,18)/t14-/m0/s1
InChIKeySJJNUZLLAPGEIC-AWEZNQCLSA-N
XLogP3.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045
(2R)-N-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide
CID 92681954

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide?
The IUPAC name of (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide (CID 92675039) is (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide is CCNC(=O)[C@H](CC)Oc1cccc2ccccc12.
What is the InChIKey of (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide?
The InChIKey is SJJNUZLLAPGEIC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-14(16(18)17-4-2)19-15-11-7-9-12-8-5-6-10-13(12)15/h5-11,14H,3-4H2,1-2H3,(H,17,18)/t14-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide?
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide has a molecular weight of 257.33 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 92675039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).