N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide

C25H23NO2 — CID 133218992

IUPACN-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C25H23NO2/c1-2-23(28-24-16-8-12-19-10-4-6-15-22(19)24)25(27)26-17-20-13-7-11-18-9-3-5-14-21(18)20/h3-16,23H,2,17H2,1H3,(H,26,27)
InChIKeyNRBZNMLKBCCBFX-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.47
Rot. Bonds6

About N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide

N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide (PubChem CID 133218992) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
PubChem CID133218992
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC NameN-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
SMILESCCC(Oc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12
InChIInChI=1S/C25H23NO2/c1-2-23(28-24-16-8-12-19-10-4-6-15-22(19)24)25(27)26-17-20-13-7-11-18-9-3-5-14-21(18)20/h3-16,23H,2,17H2,1H3,(H,26,27)
InChIKeyNRBZNMLKBCCBFX-UHFFFAOYSA-N
XLogP5.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2-ethoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 94028066
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
(2S)-N-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2S)-N-[(4-fluorophenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92674999
(2R)-N-[(4-methylphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 92646424
N-[(4-methoxyphenyl)methyl]-2-naphthalen-1-yloxybutanamide
CID 43915994
2-naphthalen-1-yloxy-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 133166238
(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-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185
2-naphthalen-1-yloxy-N-(2-phenylpropyl)butanamide
CID 133240045

Frequently Asked Questions

What is the IUPAC name of N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide?
The IUPAC name of N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide (CID 133218992) is N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide?
The canonical SMILES for N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide is CCC(Oc1cccc2ccccc12)C(=O)NCc1cccc2ccccc12.
What is the InChIKey of N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide?
The InChIKey is NRBZNMLKBCCBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-2-23(28-24-16-8-12-19-10-4-6-15-22(19)24)25(27)26-17-20-13-7-11-18-9-3-5-14-21(18)20/h3-16,23H,2,17H2,1H3,(H,26,27).
What are the key properties of N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide?
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide has a molecular weight of 369.46 g/mol, XLogP of 5.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide is sourced from PubChem (CID 133218992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).