2-[(3-methoxyphenyl)methoxy]butanamide

C12H17NO3 — CID 62899722

IUPAC2-[(3-methoxyphenyl)methoxy]butanamide
SMILESCCC(OCc1cccc(OC)c1)C(N)=O
InChIInChI=1S/C12H17NO3/c1-3-11(12(13)14)16-8-9-5-4-6-10(7-9)15-2/h4-7,11H,3,8H2,1-2H3,(H2,13,14)
InChIKeyMODLUMDNYRVLNL-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.48
Rot. Bonds6

About 2-[(3-methoxyphenyl)methoxy]butanamide

2-[(3-methoxyphenyl)methoxy]butanamide (PubChem CID 62899722) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methoxy]butanamide.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methoxy]butanamide
PubChem CID62899722
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-[(3-methoxyphenyl)methoxy]butanamide
SMILESCCC(OCc1cccc(OC)c1)C(N)=O
InChIInChI=1S/C12H17NO3/c1-3-11(12(13)14)16-8-9-5-4-6-10(7-9)15-2/h4-7,11H,3,8H2,1-2H3,(H2,13,14)
InChIKeyMODLUMDNYRVLNL-UHFFFAOYSA-N
XLogP1.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methoxy]butanamide?
The IUPAC name of 2-[(3-methoxyphenyl)methoxy]butanamide (CID 62899722) is 2-[(3-methoxyphenyl)methoxy]butanamide.
What is the SMILES notation for 2-[(3-methoxyphenyl)methoxy]butanamide?
The canonical SMILES for 2-[(3-methoxyphenyl)methoxy]butanamide is CCC(OCc1cccc(OC)c1)C(N)=O.
What is the InChIKey of 2-[(3-methoxyphenyl)methoxy]butanamide?
The InChIKey is MODLUMDNYRVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-11(12(13)14)16-8-9-5-4-6-10(7-9)15-2/h4-7,11H,3,8H2,1-2H3,(H2,13,14).
What are the key properties of 2-[(3-methoxyphenyl)methoxy]butanamide?
2-[(3-methoxyphenyl)methoxy]butanamide has a molecular weight of 223.27 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methoxy]butanamide is sourced from PubChem (CID 62899722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).