N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide

C17H18N2O2 — CID 63733677

IUPACN-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(N)c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C17H18N2O2/c1-11(18)12-4-6-16(7-5-12)19-17(20)13-2-3-14-9-21-10-15(14)8-13/h2-8,11H,9-10,18H2,1H3,(H,19,20)
InChIKeyBXAIQWSZHSHLHW-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.99
Rot. Bonds3

About N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide

N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63733677) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63733677
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCC(N)c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1
InChIInChI=1S/C17H18N2O2/c1-11(18)12-4-6-16(7-5-12)19-17(20)13-2-3-14-9-21-10-15(14)8-13/h2-8,11H,9-10,18H2,1H3,(H,19,20)
InChIKeyBXAIQWSZHSHLHW-UHFFFAOYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(1,3-dihydro-2-benzofuran-5-yl)ethanamine
CID 82759253
N-(3-fluoro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 64782580
2-(1,3-dihydro-2-benzofuran-5-carbonylamino)-3-methylbutanoic acid
CID 63733070
N-(3,5-dichloro-4-hydroxyphenyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 82881373
N-[(2S)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 95050918
1,3-dihydro-2-benzofuran-5-yl-(4-propan-2-ylphenyl)methanone
CID 63021603
N-[4-(1-aminoethyl)phenyl]-3,5-dimethoxybenzamide
CID 43822825
N-(3-amino-2-methylpropyl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63732267
N-[2-(1-bromoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 114315591
N-[2-(propan-2-ylamino)ethyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63743519
5-(1,3-dihydro-2-benzofuran-5-carbonylamino)pyridine-3-carboxylic acid
CID 63733480
N-(1-cyanopropan-2-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 55220483

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63733677) is N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is CC(N)c1ccc(NC(=O)c2ccc3c(c2)COC3)cc1.
What is the InChIKey of N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is BXAIQWSZHSHLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-11(18)12-4-6-16(7-5-12)19-17(20)13-2-3-14-9-21-10-15(14)8-13/h2-8,11H,9-10,18H2,1H3,(H,19,20).
What are the key properties of N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide?
N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63733677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).