N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide

C15H15NO3 — CID 583866

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1OCCc2ccccc21)c1ccco1
InChIInChI=1S/C15H15NO3/c17-15(13-6-3-8-18-13)16-10-14-12-5-2-1-4-11(12)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17)
InChIKeyNWZMQXVXEVYQFP-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.32
Rot. Bonds3

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide (PubChem CID 583866) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide
PubChem CID583866
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1OCCc2ccccc21)c1ccco1
InChIInChI=1S/C15H15NO3/c17-15(13-6-3-8-18-13)16-10-14-12-5-2-1-4-11(12)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17)
InChIKeyNWZMQXVXEVYQFP-UHFFFAOYSA-N
XLogP2.32
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-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-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide (CID 583866) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide is O=C(NCC1OCCc2ccccc21)c1ccco1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide?
The InChIKey is NWZMQXVXEVYQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(13-6-3-8-18-13)16-10-14-12-5-2-1-4-11(12)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 583866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).