N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide

C14H15NO3 — CID 903828

IUPACN-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C14H15NO3/c1-10-3-8-13(18-10)14(16)15-9-11-4-6-12(17-2)7-5-11/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyPQBWZRYWPBCCNI-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.53
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide

N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide (PubChem CID 903828) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide
PubChem CID903828
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC NameN-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(C)o2)cc1
InChIInChI=1S/C14H15NO3/c1-10-3-8-13(18-10)14(16)15-9-11-4-6-12(17-2)7-5-11/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyPQBWZRYWPBCCNI-UHFFFAOYSA-N
XLogP2.53
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide (CID 903828) is N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide is COc1ccc(CNC(=O)c2ccc(C)o2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
The InChIKey is PQBWZRYWPBCCNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-10-3-8-13(18-10)14(16)15-9-11-4-6-12(17-2)7-5-11/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide?
N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 903828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).