N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C21H19NO3 — CID 51317174

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C3Cc4ccccc4O3)ccc2c1
InChIInChI=1S/C21H19NO3/c1-24-18-9-8-15-10-14(6-7-16(15)11-18)13-22-21(23)20-12-17-4-2-3-5-19(17)25-20/h2-11,20H,12-13H2,1H3,(H,22,23)
InChIKeyUMFJXIILSMQJKR-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.47
Rot. Bonds4

About N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 51317174) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID51317174
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C3Cc4ccccc4O3)ccc2c1
InChIInChI=1S/C21H19NO3/c1-24-18-9-8-15-10-14(6-7-16(15)11-18)13-22-21(23)20-12-17-4-2-3-5-19(17)25-20/h2-11,20H,12-13H2,1H3,(H,22,23)
InChIKeyUMFJXIILSMQJKR-UHFFFAOYSA-N
XLogP3.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-[(2,3-dihydro-1-benzofuran-2-carbonylamino)methyl]-2-methoxybenzoate
CID 18089755
(2R)-5-chloro-N-[(4-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006574
N-[2-(2,5-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698832
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376
(2S)-N-[(3-chlorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9079755
N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55792754
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-(4-methoxyphenyl)methanone
CID 132502479
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
N-[[4-(carbamoylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42936919
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[(6-methoxynaphthalen-2-yl)methyl]oxane-4-carboxamide
CID 30307912
N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42926752

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 51317174) is N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is COc1ccc2cc(CNC(=O)C3Cc4ccccc4O3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UMFJXIILSMQJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c1-24-18-9-8-15-10-14(6-7-16(15)11-18)13-22-21(23)20-12-17-4-2-3-5-19(17)25-20/h2-11,20H,12-13H2,1H3,(H,22,23).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 51317174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).