N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

C18H17NO3 — CID 110902400

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CO)oc2ccccc12
InChIInChI=1S/C18H17NO3/c1-12-15-8-4-5-9-16(15)22-17(12)18(21)19-10-13-6-2-3-7-14(13)11-20/h2-9,20H,10-11H2,1H3,(H,19,21)
InChIKeyBEJJXSKYMKZMMR-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.16
Rot. Bonds4

About N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 110902400) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID110902400
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2CO)oc2ccccc12
InChIInChI=1S/C18H17NO3/c1-12-15-8-4-5-9-16(15)22-17(12)18(21)19-10-13-6-2-3-7-14(13)11-20/h2-9,20H,10-11H2,1H3,(H,19,21)
InChIKeyBEJJXSKYMKZMMR-UHFFFAOYSA-N
XLogP3.16
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-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

Related Compounds

3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 35337998
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246
methyl 2-hydroxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoate
CID 103958225
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 43357642
3-[[(3-methyl-1-benzofuran-2-carbonyl)amino]methyl]pentanoic acid
CID 81064139
3-methyl-N-[(1-phenylcyclopropyl)methyl]-1-benzofuran-2-carboxamide
CID 16602422
5-chloro-3-methyl-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]-1-benzofuran-2-carboxamide
CID 9143399

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 110902400) is N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2ccccc2CO)oc2ccccc12.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BEJJXSKYMKZMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12-15-8-4-5-9-16(15)22-17(12)18(21)19-10-13-6-2-3-7-14(13)11-20/h2-9,20H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110902400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).