N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide

C14H20N2O2 — CID 62851670

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c1-3-15-9-10(2)14(17)16-12-4-5-13-11(8-12)6-7-18-13/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyMTTNFYDIHDNEFE-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.81
Rot. Bonds5

About N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide

N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide (PubChem CID 62851670) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
PubChem CID62851670
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C14H20N2O2/c1-3-15-9-10(2)14(17)16-12-4-5-13-11(8-12)6-7-18-13/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyMTTNFYDIHDNEFE-UHFFFAOYSA-N
XLogP1.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.81
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
2-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 107903969
(2S,3S)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylpentanamide
CID 61177905
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentanamide
CID 110837781
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
CID 115186146
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
CID 110726242
N-(3,4-dihydro-2H-chromen-6-yl)-2-hydroxypropanamide
CID 115140407
5-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-5-oxopentanoic acid
CID 62965231
2-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)acetamide
CID 43701447
2-amino-N-(2,3-dihydro-1-benzofuran-5-yl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787891
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119669230
N-(3,4-dimethylphenyl)-3-(ethylamino)-2-methylpropanamide
CID 62852690

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide (CID 62851670) is N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide?
The InChIKey is MTTNFYDIHDNEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-15-9-10(2)14(17)16-12-4-5-13-11(8-12)6-7-18-13/h4-5,8,10,15H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 62851670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).