N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

C15H19NO2 — CID 42890731

IUPACN-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H19NO2/c1-10(11-7-8-11)16(2)15(17)14-9-12-5-3-4-6-13(12)18-14/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyCNPUNKIUFHUBDA-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.25
Rot. Bonds3

About N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 42890731) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID42890731
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H19NO2/c1-10(11-7-8-11)16(2)15(17)14-9-12-5-3-4-6-13(12)18-14/h3-6,10-11,14H,7-9H2,1-2H3
InChIKeyCNPUNKIUFHUBDA-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 42890731) is N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C1CC1)N(C)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is CNPUNKIUFHUBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(11-7-8-11)16(2)15(17)14-9-12-5-3-4-6-13(12)18-14/h3-6,10-11,14H,7-9H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42890731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).