(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide

C19H25NO2 — CID 92647112

IUPAC(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
SMILESCCCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO2/c1-3-5-8-13-20-19(21)18(4-2)22-17-12-11-15-9-6-7-10-16(15)14-17/h6-7,9-12,14,18H,3-5,8,13H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyJVVNRPUSYODFJD-SFHVURJKSA-N
MW299.41 g/mol
LogP4.30
Rot. Bonds8

About (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide

(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide (PubChem CID 92647112) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
PubChem CID92647112
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
SMILESCCCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1
InChIInChI=1S/C19H25NO2/c1-3-5-8-13-20-19(21)18(4-2)22-17-12-11-15-9-6-7-10-16(15)14-17/h6-7,9-12,14,18H,3-5,8,13H2,1-2H3,(H,20,21)/t18-/m0/s1
InChIKeyJVVNRPUSYODFJD-SFHVURJKSA-N
XLogP4.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-ethoxypropyl)-2-naphthalen-2-yloxybutanamide
CID 92686159
N-[3-(3-methylphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 46764115
(2S)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 94012280
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-naphthalen-2-yloxybutanamide
CID 92673251
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
CID 92683293
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-2-yloxybutanamide
CID 93486822
(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
CID 94012357
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
N-(3-butoxypropyl)-2-phenoxybutanamide
CID 4557068
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
(2S)-N-butyl-2-(3,4-dimethylphenoxy)butanamide
CID 92683628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide?
The IUPAC name of (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide (CID 92647112) is (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide.
What is the SMILES notation for (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide?
The canonical SMILES for (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide is CCCCCNC(=O)[C@H](CC)Oc1ccc2ccccc2c1.
What is the InChIKey of (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide?
The InChIKey is JVVNRPUSYODFJD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-5-8-13-20-19(21)18(4-2)22-17-12-11-15-9-6-7-10-16(15)14-17/h6-7,9-12,14,18H,3-5,8,13H2,1-2H3,(H,20,21)/t18-/m0/s1.
What are the key properties of (2S)-2-naphthalen-2-yloxy-N-pentylbutanamide?
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide has a molecular weight of 299.41 g/mol, XLogP of 4.30, 8 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-pentylbutanamide is sourced from PubChem (CID 92647112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).