(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide

C19H25NO2 — CID 94012357

IUPAC(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
SMILESCCCCCNC(=O)[C@H](CC)Oc1cccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-3-5-8-14-20-19(21)17(4-2)22-18-13-9-11-15-10-6-7-12-16(15)18/h6-7,9-13,17H,3-5,8,14H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyPFRWGKMHZLXSFV-KRWDZBQOSA-N
MW299.41 g/mol
LogP4.30
Rot. Bonds8

About (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide

(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide (PubChem CID 94012357) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide.

Molecular Properties

Compound Name(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
PubChem CID94012357
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name(2S)-2-naphthalen-1-yloxy-N-pentylbutanamide
SMILESCCCCCNC(=O)[C@H](CC)Oc1cccc2ccccc12
InChIInChI=1S/C19H25NO2/c1-3-5-8-14-20-19(21)17(4-2)22-18-13-9-11-15-10-6-7-12-16(15)18/h6-7,9-13,17H,3-5,8,14H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKeyPFRWGKMHZLXSFV-KRWDZBQOSA-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-ethyl-2-naphthalen-1-yloxybutanamide
CID 92675039
(2R)-N-(3-ethoxypropyl)-2-naphthalen-1-yloxybutanamide
CID 99955185
(2R)-2-naphthalen-1-yloxy-N-(2-phenylethyl)butanamide
CID 92675290
N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909517
(2R)-N-[3-(4-fluorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 93487591
(2S)-N-benzyl-2-naphthalen-1-yloxybutanamide
CID 30377459
N-(naphthalen-1-ylmethyl)-2-naphthalen-1-yloxybutanamide
CID 133218992
N-[3-(4-chlorophenyl)propyl]-2-naphthalen-1-yloxybutanamide
CID 43909206
(2R)-N-methyl-2-naphthalen-1-yloxybutanamide
CID 30388203
(2R)-2-naphthalen-1-yloxy-N-(2-phenylsulfanylethyl)butanamide
CID 92681954
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2S)-N-butyl-2-(2-methylphenoxy)butanamide
CID 30398295

Frequently Asked Questions

What is the IUPAC name of (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide?
The IUPAC name of (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide (CID 94012357) is (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide.
What is the SMILES notation for (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide?
The canonical SMILES for (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide is CCCCCNC(=O)[C@H](CC)Oc1cccc2ccccc12.
What is the InChIKey of (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide?
The InChIKey is PFRWGKMHZLXSFV-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO2/c1-3-5-8-14-20-19(21)17(4-2)22-18-13-9-11-15-10-6-7-12-16(15)18/h6-7,9-13,17H,3-5,8,14H2,1-2H3,(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-naphthalen-1-yloxy-N-pentylbutanamide?
(2S)-2-naphthalen-1-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-1-yloxy-N-pentylbutanamide is sourced from PubChem (CID 94012357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).