N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide

C16H19NO5 — CID 98783372

IUPACN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@H]3C[C@H](CO)[C@@H](O)C3)oc12
InChIInChI=1S/C16H19NO5/c1-21-13-4-2-3-9-6-14(22-15(9)13)16(20)17-11-5-10(8-18)12(19)7-11/h2-4,6,10-12,18-19H,5,7-8H2,1H3,(H,17,20)/t10-,11+,12+/m1/s1
InChIKeyZVZQIRCADHHDJO-WOPDTQHZSA-N
MW305.33 g/mol
LogP1.30
Rot. Bonds4

About N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide

N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide (PubChem CID 98783372) has the molecular formula C16H19NO5 and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
PubChem CID98783372
Molecular FormulaC16H19NO5
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)N[C@H]3C[C@H](CO)[C@@H](O)C3)oc12
InChIInChI=1S/C16H19NO5/c1-21-13-4-2-3-9-6-14(22-15(9)13)16(20)17-11-5-10(8-18)12(19)7-11/h2-4,6,10-12,18-19H,5,7-8H2,1H3,(H,17,20)/t10-,11+,12+/m1/s1
InChIKeyZVZQIRCADHHDJO-WOPDTQHZSA-N
XLogP1.30
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-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

Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide (CID 98783372) is N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)N[C@H]3C[C@H](CO)[C@@H](O)C3)oc12.
What is the InChIKey of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is ZVZQIRCADHHDJO-WOPDTQHZSA-N. The full InChI is InChI=1S/C16H19NO5/c1-21-13-4-2-3-9-6-14(22-15(9)13)16(20)17-11-5-10(8-18)12(19)7-11/h2-4,6,10-12,18-19H,5,7-8H2,1H3,(H,17,20)/t10-,11+,12+/m1/s1.
What are the key properties of N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide?
N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-7-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 98783372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).