2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide

C12H17NO4 — CID 91015310

IUPAC2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide
SMILESCOc1ccc(COC(C)(OC)C(N)=O)cc1
InChIInChI=1S/C12H17NO4/c1-12(16-3,11(13)14)17-8-9-4-6-10(15-2)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyBNIQBKFBEBWIBO-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.06
Rot. Bonds6

About 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide

2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide (PubChem CID 91015310) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide.

Molecular Properties

Compound Name2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide
PubChem CID91015310
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide
SMILESCOc1ccc(COC(C)(OC)C(N)=O)cc1
InChIInChI=1S/C12H17NO4/c1-12(16-3,11(13)14)17-8-9-4-6-10(15-2)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14)
InChIKeyBNIQBKFBEBWIBO-UHFFFAOYSA-N
XLogP1.06
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide?
The IUPAC name of 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide (CID 91015310) is 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide.
What is the SMILES notation for 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide?
The canonical SMILES for 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide is COc1ccc(COC(C)(OC)C(N)=O)cc1.
What is the InChIKey of 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide?
The InChIKey is BNIQBKFBEBWIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(16-3,11(13)14)17-8-9-4-6-10(15-2)7-5-9/h4-7H,8H2,1-3H3,(H2,13,14).
What are the key properties of 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide?
2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide has a molecular weight of 239.27 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-[(4-methoxyphenyl)methoxy]propanamide is sourced from PubChem (CID 91015310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).