(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide

C16H25NO3 — CID 92683293

IUPAC(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)[C@@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C16H25NO3/c1-4-6-7-11-17-16(18)15(5-2)20-14-10-8-9-13(12-14)19-3/h8-10,12,15H,4-7,11H2,1-3H3,(H,17,18)/t15-/m1/s1
InChIKeyLEJGNWLURMEDTE-OAHLLOKOSA-N
MW279.38 g/mol
LogP3.16
Rot. Bonds9

About (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide

(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide (PubChem CID 92683293) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide.

Molecular Properties

Compound Name(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
PubChem CID92683293
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide
SMILESCCCCCNC(=O)[C@@H](CC)Oc1cccc(OC)c1
InChIInChI=1S/C16H25NO3/c1-4-6-7-11-17-16(18)15(5-2)20-14-10-8-9-13(12-14)19-3/h8-10,12,15H,4-7,11H2,1-3H3,(H,17,18)/t15-/m1/s1
InChIKeyLEJGNWLURMEDTE-OAHLLOKOSA-N
XLogP3.16
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methoxyphenoxy)-N-(3-methylbutyl)butanamide
CID 43909571
N-hexyl-2-(3-methoxyphenoxy)propanamide
CID 19203844
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 132653897
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
(2S)-2-naphthalen-2-yloxy-N-pentylbutanamide
CID 92647112
(2R)-2-(3-chlorophenoxy)-N-[3-(3-methoxyphenyl)propyl]butanamide
CID 94019406
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
(2R)-2-(3-methoxyphenoxy)-N-prop-2-enylbutanamide
CID 92676242
2-phenoxy-N-[8-(2-phenoxybutanoylamino)octyl]butanamide
CID 3440313
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169
2-(3-methoxyphenoxy)-N-pentylacetamide
CID 19204008

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide?
The IUPAC name of (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide (CID 92683293) is (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide.
What is the SMILES notation for (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide?
The canonical SMILES for (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide is CCCCCNC(=O)[C@@H](CC)Oc1cccc(OC)c1.
What is the InChIKey of (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide?
The InChIKey is LEJGNWLURMEDTE-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-6-7-11-17-16(18)15(5-2)20-14-10-8-9-13(12-14)19-3/h8-10,12,15H,4-7,11H2,1-3H3,(H,17,18)/t15-/m1/s1.
What are the key properties of (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide?
(2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide has a molecular weight of 279.38 g/mol, XLogP of 3.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-methoxyphenoxy)-N-pentylbutanamide is sourced from PubChem (CID 92683293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).