3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide

C17H18N2O2 — CID 62879061

IUPAC3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C17H18N2O2/c18-11-15(12-4-2-1-3-5-12)17(20)19-14-6-7-16-13(10-14)8-9-21-16/h1-7,10,15H,8-9,11,18H2,(H,19,20)
InChIKeyVXQOUHGZQDOLAB-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.30
Rot. Bonds4

About 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide

3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide (PubChem CID 62879061) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
PubChem CID62879061
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
SMILESNCC(C(=O)Nc1ccc2c(c1)CCO2)c1ccccc1
InChIInChI=1S/C17H18N2O2/c18-11-15(12-4-2-1-3-5-12)17(20)19-14-6-7-16-13(10-14)8-9-21-16/h1-7,10,15H,8-9,11,18H2,(H,19,20)
InChIKeyVXQOUHGZQDOLAB-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 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 ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
(2R)-2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-phenylacetamide
CID 35626827
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
CID 115186146
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylpentanamide
CID 51866041
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
CID 61177905
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide
CID 62488581
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide (CID 62879061) is 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide is NCC(C(=O)Nc1ccc2c(c1)CCO2)c1ccccc1.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide?
The InChIKey is VXQOUHGZQDOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-11-15(12-4-2-1-3-5-12)17(20)19-14-6-7-16-13(10-14)8-9-21-16/h1-7,10,15H,8-9,11,18H2,(H,19,20).
What are the key properties of 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide?
3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide has a molecular weight of 282.34 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-phenylpropanamide is sourced from PubChem (CID 62879061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).