N-benzyl-2-(3-methoxyphenoxy)butanamide

C18H21NO3 — CID 13206446

IUPACN-benzyl-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-17(22-16-11-7-10-15(12-16)21-2)18(20)19-13-14-8-5-4-6-9-14/h4-12,17H,3,13H2,1-2H3,(H,19,20)
InChIKeyFBVYWWGSEJPNHG-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds7

About N-benzyl-2-(3-methoxyphenoxy)butanamide

N-benzyl-2-(3-methoxyphenoxy)butanamide (PubChem CID 13206446) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-benzyl-2-(3-methoxyphenoxy)butanamide.

Molecular Properties

Compound NameN-benzyl-2-(3-methoxyphenoxy)butanamide
PubChem CID13206446
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-benzyl-2-(3-methoxyphenoxy)butanamide
SMILESCCC(Oc1cccc(OC)c1)C(=O)NCc1ccccc1
InChIInChI=1S/C18H21NO3/c1-3-17(22-16-11-7-10-15(12-16)21-2)18(20)19-13-14-8-5-4-6-9-14/h4-12,17H,3,13H2,1-2H3,(H,19,20)
InChIKeyFBVYWWGSEJPNHG-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 38003558
(2R)-N-[(2-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 94019358
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-N-[(4-methoxyphenyl)methyl]-2-naphthalen-2-yloxybutanamide
CID 94018484
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
(2R)-N-(2-benzylsulfanylethyl)-2-(3-methoxyphenoxy)butanamide
CID 28579105
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 92676257

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(3-methoxyphenoxy)butanamide?
The IUPAC name of N-benzyl-2-(3-methoxyphenoxy)butanamide (CID 13206446) is N-benzyl-2-(3-methoxyphenoxy)butanamide.
What is the SMILES notation for N-benzyl-2-(3-methoxyphenoxy)butanamide?
The canonical SMILES for N-benzyl-2-(3-methoxyphenoxy)butanamide is CCC(Oc1cccc(OC)c1)C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(3-methoxyphenoxy)butanamide?
The InChIKey is FBVYWWGSEJPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-17(22-16-11-7-10-15(12-16)21-2)18(20)19-13-14-8-5-4-6-9-14/h4-12,17H,3,13H2,1-2H3,(H,19,20).
What are the key properties of N-benzyl-2-(3-methoxyphenoxy)butanamide?
N-benzyl-2-(3-methoxyphenoxy)butanamide has a molecular weight of 299.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(3-methoxyphenoxy)butanamide is sourced from PubChem (CID 13206446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).