N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide

C20H25NO4 — CID 113096389

IUPACN-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C20H25NO4/c22-20(13-3-7-23-8-4-13)21(15-1-2-15)12-17-16-6-10-24-18(16)11-14-5-9-25-19(14)17/h11,13,15H,1-10,12H2
InChIKeyIAKOFVWMKYQVQB-UHFFFAOYSA-N
MW343.42 g/mol
LogP2.47
Rot. Bonds4

About N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide

N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide (PubChem CID 113096389) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide
PubChem CID113096389
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide
SMILESO=C(C1CCOCC1)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1
InChIInChI=1S/C20H25NO4/c22-20(13-3-7-23-8-4-13)21(15-1-2-15)12-17-16-6-10-24-18(16)11-14-5-9-25-19(14)17/h11,13,15H,1-10,12H2
InChIKeyIAKOFVWMKYQVQB-UHFFFAOYSA-N
XLogP2.47
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-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-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide?
The IUPAC name of N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide (CID 113096389) is N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide?
The canonical SMILES for N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide is O=C(C1CCOCC1)N(Cc1c2c(cc3c1OCC3)OCC2)C1CC1.
What is the InChIKey of N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide?
The InChIKey is IAKOFVWMKYQVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c22-20(13-3-7-23-8-4-13)21(15-1-2-15)12-17-16-6-10-24-18(16)11-14-5-9-25-19(14)17/h11,13,15H,1-10,12H2.
What are the key properties of N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide?
N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide has a molecular weight of 343.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ylmethyl)oxane-4-carboxamide is sourced from PubChem (CID 113096389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).