N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C13H18N2O2 — CID 63755933

IUPACN-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(N)CN(C)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O2/c1-9(14)8-15(2)13(16)11-3-4-12-10(7-11)5-6-17-12/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyVEOBIOMXLYWCGE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.04
Rot. Bonds3

About N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 63755933) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID63755933
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCC(N)CN(C)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C13H18N2O2/c1-9(14)8-15(2)13(16)11-3-4-12-10(7-11)5-6-17-12/h3-4,7,9H,5-6,8,14H2,1-2H3
InChIKeyVEOBIOMXLYWCGE-UHFFFAOYSA-N
XLogP1.04
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
1-(2,3-dihydro-1-benzofuran-5-yl)-4-methylpentan-1-one
CID 43160511
N-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86979366
N-(4-aminophenyl)-N-ethyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63233821
4-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylpentanamide
CID 115156754
2-amino-3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoic acid
CID 116920551
3-[[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]-methylamino]-2-methylpropanoic acid
CID 120524389
N-butyl-N-methyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 110693378
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
N-(1-amino-3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 65191054
2-[2,3-dihydro-1-benzofuran-5-carbonyl(propyl)amino]acetic acid
CID 61013012

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 63755933) is N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CC(N)CN(C)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is VEOBIOMXLYWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9(14)8-15(2)13(16)11-3-4-12-10(7-11)5-6-17-12/h3-4,7,9H,5-6,8,14H2,1-2H3.
What are the key properties of N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 63755933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).