(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide

C18H24N2O4 — CID 120792334

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccc2oc(C(C)NC(=O)[C@@H]3CC[C@H](CN)O3)c(C)c2c1
InChIInChI=1S/C18H24N2O4/c1-10-14-8-12(22-3)4-6-15(14)24-17(10)11(2)20-18(21)16-7-5-13(9-19)23-16/h4,6,8,11,13,16H,5,7,9,19H2,1-3H3,(H,20,21)/t11?,13-,16+/m1/s1
InChIKeyBNEVTIYVVJRTGI-ZYFAKELQSA-N
MW332.40 g/mol
LogP2.43
Rot. Bonds5

About (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide (PubChem CID 120792334) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
PubChem CID120792334
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide
SMILESCOc1ccc2oc(C(C)NC(=O)[C@@H]3CC[C@H](CN)O3)c(C)c2c1
InChIInChI=1S/C18H24N2O4/c1-10-14-8-12(22-3)4-6-15(14)24-17(10)11(2)20-18(21)16-7-5-13(9-19)23-16/h4,6,8,11,13,16H,5,7,9,19H2,1-3H3,(H,20,21)/t11?,13-,16+/m1/s1
InChIKeyBNEVTIYVVJRTGI-ZYFAKELQSA-N
XLogP2.43
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-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 (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide (CID 120792334) is (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide is COc1ccc2oc(C(C)NC(=O)[C@@H]3CC[C@H](CN)O3)c(C)c2c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is BNEVTIYVVJRTGI-ZYFAKELQSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-10-14-8-12(22-3)4-6-15(14)24-17(10)11(2)20-18(21)16-7-5-13(9-19)23-16/h4,6,8,11,13,16H,5,7,9,19H2,1-3H3,(H,20,21)/t11?,13-,16+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120792334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).