N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide

C16H21NO2 — CID 18787372

IUPACN-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC1CC1c1cccc2c1CCO2
InChIInChI=1S/C16H21NO2/c1-3-16(18)17(2)10-11-9-14(11)12-5-4-6-15-13(12)7-8-19-15/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyANFYIEALUFXPPM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds4

About N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide

N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide (PubChem CID 18787372) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide
PubChem CID18787372
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC NameN-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)CC1CC1c1cccc2c1CCO2
InChIInChI=1S/C16H21NO2/c1-3-16(18)17(2)10-11-9-14(11)12-5-4-6-15-13(12)7-8-19-15/h4-6,11,14H,3,7-10H2,1-2H3
InChIKeyANFYIEALUFXPPM-UHFFFAOYSA-N
XLogP2.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide?
The IUPAC name of N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide (CID 18787372) is N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide.
What is the SMILES notation for N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide?
The canonical SMILES for N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide is CCC(=O)N(C)CC1CC1c1cccc2c1CCO2.
What is the InChIKey of N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide?
The InChIKey is ANFYIEALUFXPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-3-16(18)17(2)10-11-9-14(11)12-5-4-6-15-13(12)7-8-19-15/h4-6,11,14H,3,7-10H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide?
N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 18787372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).