N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide

C17H18N2O2 — CID 63378630

IUPACN-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2COc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-12(20)19-14-8-6-13(7-9-14)10-18-16-11-21-17-5-3-2-4-15(16)17/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyXTSYCINAOGIXNC-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.87
Rot. Bonds4

About N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide

N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide (PubChem CID 63378630) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
PubChem CID63378630
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2COc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-12(20)19-14-8-6-13(7-9-14)10-18-16-11-21-17-5-3-2-4-15(16)17/h2-9,16,18H,10-11H2,1H3,(H,19,20)
InChIKeyXTSYCINAOGIXNC-UHFFFAOYSA-N
XLogP2.87
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378811
N-(4-acetamidophenyl)-2-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110753843
N-[(4-nitrophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378673
N-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378996
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-amine
CID 63378858
N-[4-(3,4-dihydro-2H-chromen-4-ylcarbamoylamino)phenyl]acetamide
CID 110866526
N-(3-methylbut-3-enyl)-2,3-dihydro-1-benzofuran-3-amine
CID 114472320
N-[(2-cyclopropylphenyl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 79883117
N-[(5-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 63378721
2-(2,3-dihydro-1-benzofuran-3-ylamino)-N-phenylpropanamide
CID 62064676
2-(4-chlorophenyl)-N-(2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 110751602
N-[(3-methylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran-3-amine
CID 115653449

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide?
The IUPAC name of N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide (CID 63378630) is N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide is CC(=O)Nc1ccc(CNC2COc3ccccc32)cc1.
What is the InChIKey of N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide?
The InChIKey is XTSYCINAOGIXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-12(20)19-14-8-6-13(7-9-14)10-18-16-11-21-17-5-3-2-4-15(16)17/h2-9,16,18H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide?
N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide has a molecular weight of 282.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,3-dihydro-1-benzofuran-3-ylamino)methyl]phenyl]acetamide is sourced from PubChem (CID 63378630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).