2-[(4-methoxyphenyl)methoxy]butanediamide

C12H16N2O4 — CID 143019630

IUPAC2-[(4-methoxyphenyl)methoxy]butanediamide
SMILESCOc1ccc(COC(CC(N)=O)C(N)=O)cc1
InChIInChI=1S/C12H16N2O4/c1-17-9-4-2-8(3-5-9)7-18-10(12(14)16)6-11(13)15/h2-5,10H,6-7H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyIOLGTQVZEGZETD-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.06
Rot. Bonds7

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

2-[(4-methoxyphenyl)methoxy]butanediamide (PubChem CID 143019630) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methoxy]butanediamide.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methoxy]butanediamide
PubChem CID143019630
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[(4-methoxyphenyl)methoxy]butanediamide
SMILESCOc1ccc(COC(CC(N)=O)C(N)=O)cc1
InChIInChI=1S/C12H16N2O4/c1-17-9-4-2-8(3-5-9)7-18-10(12(14)16)6-11(13)15/h2-5,10H,6-7H2,1H3,(H2,13,15)(H2,14,16)
InChIKeyIOLGTQVZEGZETD-UHFFFAOYSA-N
XLogP-0.06
TPSA104.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methoxy]butanediamide?
The IUPAC name of 2-[(4-methoxyphenyl)methoxy]butanediamide (CID 143019630) is 2-[(4-methoxyphenyl)methoxy]butanediamide.
What is the SMILES notation for 2-[(4-methoxyphenyl)methoxy]butanediamide?
The canonical SMILES for 2-[(4-methoxyphenyl)methoxy]butanediamide is COc1ccc(COC(CC(N)=O)C(N)=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methoxy]butanediamide?
The InChIKey is IOLGTQVZEGZETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-17-9-4-2-8(3-5-9)7-18-10(12(14)16)6-11(13)15/h2-5,10H,6-7H2,1H3,(H2,13,15)(H2,14,16).
What are the key properties of 2-[(4-methoxyphenyl)methoxy]butanediamide?
2-[(4-methoxyphenyl)methoxy]butanediamide has a molecular weight of 252.27 g/mol, XLogP of -0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methoxy]butanediamide is sourced from PubChem (CID 143019630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).