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

C13H17NO2 — CID 110726242

IUPACN-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-9(2)7-13(15)14-11-3-4-12-10(8-11)5-6-16-12/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)
InChIKeyYULQOMIDPMUZSY-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.61
Rot. Bonds3

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

N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide (PubChem CID 110726242) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
PubChem CID110726242
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide
SMILESCC(C)CC(=O)Nc1ccc2c(c1)CCO2
InChIInChI=1S/C13H17NO2/c1-9(2)7-13(15)14-11-3-4-12-10(8-11)5-6-16-12/h3-4,8-9H,5-7H2,1-2H3,(H,14,15)
InChIKeyYULQOMIDPMUZSY-UHFFFAOYSA-N
XLogP2.61
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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
4-(2,3-dihydro-1-benzofuran-5-ylamino)-3-methyl-4-oxobutanoic acid
CID 115164479
(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
N-(2,3-dihydro-1-benzofuran-5-yl)-3-(ethylamino)-2-methylpropanamide
CID 62851670
3-methyl-N-(1-oxo-3H-2-benzofuran-5-yl)butanamide
CID 860482
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
CID 107909036
2-[2-(2,3-dihydro-1-benzofuran-5-ylamino)-2-oxoethyl]sulfanylacetic acid
CID 113427707
3-cyano-N-(2,3-dihydro-1-benzofuran-5-yl)propanamide
CID 115173560
2-(2,3-dihydro-1-benzofuran-5-ylcarbamoyl)-3-methylbutanoic acid
CID 115186146
N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyethyl]-3-methylbutanamide
CID 90580682

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide (CID 110726242) is N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide is CC(C)CC(=O)Nc1ccc2c(c1)CCO2.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide?
The InChIKey is YULQOMIDPMUZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9(2)7-13(15)14-11-3-4-12-10(8-11)5-6-16-12/h3-4,8-9H,5-7H2,1-2H3,(H,14,15).
What are the key properties of N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide?
N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide has a molecular weight of 219.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-5-yl)-3-methylbutanamide is sourced from PubChem (CID 110726242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).