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

C15H15NO3 — CID 2969137

IUPACN-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCc1ccco1)C1OCCc2ccccc21
InChIInChI=1S/C15H15NO3/c17-15(16-10-12-5-3-8-18-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17)
InChIKeyOKDWZNYNVFPWHN-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.21
Rot. Bonds3

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

N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide (PubChem CID 2969137) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
PubChem CID2969137
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
SMILESO=C(NCc1ccco1)C1OCCc2ccccc21
InChIInChI=1S/C15H15NO3/c17-15(16-10-12-5-3-8-18-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17)
InChIKeyOKDWZNYNVFPWHN-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-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

(1R)-N-benzyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 7343697
4-[(3,4-dihydro-1H-isochromene-1-carbonylamino)methyl]benzoic acid
CID 119994931
methyl 1-(furan-2-ylmethylcarbamoyl)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 71794172
1-(2,3-dihydro-1H-inden-1-yl)-3-(furan-2-ylmethyl)urea
CID 47127905
N-phenyl-3,4-dihydro-1H-isochromene-1-carboxamide
CID 44718206
2-[[[(1R)-3,4-dihydro-1H-isochromene-1-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 99774704
N-(pyrrolidin-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide
CID 55084255
N-[(1-aminocyclohexyl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide;hydrochloride
CID 119994996
N-[3-(2,3-dihydroindol-1-yl)propyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 102560490
1-(3,4-dihydro-1H-isochromen-1-yl)-3-methylbut-3-en-1-one
CID 105112573
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
N-[(3-methoxy-1-methylpyrazol-4-yl)methyl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 136567630

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide (CID 2969137) is N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide is O=C(NCc1ccco1)C1OCCc2ccccc21.
What is the InChIKey of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
The InChIKey is OKDWZNYNVFPWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c17-15(16-10-12-5-3-8-18-12)14-13-6-2-1-4-11(13)7-9-19-14/h1-6,8,14H,7,9-10H2,(H,16,17).
What are the key properties of N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide?
N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3,4-dihydro-1H-isochromene-1-carboxamide is sourced from PubChem (CID 2969137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).