N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide

C19H17NO3 — CID 2738875

IUPACN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)C1=Cc2ccccc2OC1
InChIInChI=1S/C19H17NO3/c21-19(16-10-14-3-1-2-4-17(14)23-12-16)20-11-13-5-6-18-15(9-13)7-8-22-18/h1-6,9-10H,7-8,11-12H2,(H,20,21)
InChIKeyAOUZDOWIKMPDLS-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.71
Rot. Bonds3

About N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide (PubChem CID 2738875) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide
PubChem CID2738875
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide
SMILESO=C(NCc1ccc2c(c1)CCO2)C1=Cc2ccccc2OC1
InChIInChI=1S/C19H17NO3/c21-19(16-10-14-3-1-2-4-17(14)23-12-16)20-11-13-5-6-18-15(9-13)7-8-22-18/h1-6,9-10H,7-8,11-12H2,(H,20,21)
InChIKeyAOUZDOWIKMPDLS-UHFFFAOYSA-N
XLogP2.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
N-benzyl-2-imino-2H-chromene-3-carboxamide
CID 3900809
(2R,3S)-5-N-ethyl-7-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 132004075
(2R,3S)-5-N,7-N,2-trimethyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 132004085
(3S)-5-N,7-N,3-trimethyl-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide
CID 138523705
(2R,3S)-N,2-dimethyl-3-phenyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 152126300
(3S)-7-N-methyl-5-N-[(1S,2S)-2-methylcyclopropyl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119558
(3S)-5-N-cyclopropyl-7-N-methyl-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide
CID 155119689
6-methoxy-N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 709850
N-(4-methoxybenzyl)-2-oxo-2H-chromene-3-carboxamide
CID 709955
1-[1'-(3-Phenylacryloyl)spiro[1-benzofuran-3,4'-piperidin]-5-yl]methanamine
CID 25113124
(E)-3-(2,6-difluorophenyl)-N-[(1S)-1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]prop-2-enamide
CID 9996654

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide (CID 2738875) is N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide is O=C(NCc1ccc2c(c1)CCO2)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide?
The InChIKey is AOUZDOWIKMPDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c21-19(16-10-14-3-1-2-4-17(14)23-12-16)20-11-13-5-6-18-15(9-13)7-8-22-18/h1-6,9-10H,7-8,11-12H2,(H,20,21).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide?
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 2738875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).