N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

C14H19NO2 — CID 110698834

IUPACN-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCN(C)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H19NO2/c1-3-4-9-15(2)14(16)13-10-11-7-5-6-8-12(11)17-13/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyJUFSFCILHZQWJB-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.25
Rot. Bonds4

About N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 110698834) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID110698834
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCN(C)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H19NO2/c1-3-4-9-15(2)14(16)13-10-11-7-5-6-8-12(11)17-13/h5-8,13H,3-4,9-10H2,1-2H3
InChIKeyJUFSFCILHZQWJB-UHFFFAOYSA-N
XLogP2.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 80659567
N-methyl-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43187174
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]propanoic acid
CID 55098742
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 54992715
2-[2,3-dihydro-1-benzofuran-2-carbonyl(methyl)amino]-2-methylpropanoic acid
CID 55123678
N-methyl-N-(1-phenylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51232488

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 110698834) is N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is CCCCN(C)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is JUFSFCILHZQWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-3-4-9-15(2)14(16)13-10-11-7-5-6-8-12(11)17-13/h5-8,13H,3-4,9-10H2,1-2H3.
What are the key properties of N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110698834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).