2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide

C19H23NO3 — CID 43907567

IUPAC2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCC1CCCO1
InChIInChI=1S/C19H23NO3/c1-2-17(19(21)20-13-15-9-6-12-22-15)23-18-11-5-8-14-7-3-4-10-16(14)18/h3-5,7-8,10-11,15,17H,2,6,9,12-13H2,1H3,(H,20,21)
InChIKeyPEUJSHDGWNHOMZ-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds6

About 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide

2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 43907567) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
PubChem CID43907567
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCC1CCCO1
InChIInChI=1S/C19H23NO3/c1-2-17(19(21)20-13-15-9-6-12-22-15)23-18-11-5-8-14-7-3-4-10-16(14)18/h3-5,7-8,10-11,15,17H,2,6,9,12-13H2,1H3,(H,20,21)
InChIKeyPEUJSHDGWNHOMZ-UHFFFAOYSA-N
XLogP3.29
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93487213
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2S)-N-cycloheptyl-2-naphthalen-1-yloxybutanamide
CID 30386318
2-[[(2R)-2-(2,3-dimethylphenoxy)butanoyl]amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 92673431
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide (CID 43907567) is 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide is CCC(Oc1cccc2ccccc12)C(=O)NCC1CCCO1.
What is the InChIKey of 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is PEUJSHDGWNHOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-2-17(19(21)20-13-15-9-6-12-22-15)23-18-11-5-8-14-7-3-4-10-16(14)18/h3-5,7-8,10-11,15,17H,2,6,9,12-13H2,1H3,(H,20,21).
What are the key properties of 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide?
2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 313.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yloxy-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 43907567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).