N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide

C15H20N2O2 — CID 66215662

IUPACN-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)C1Cc2ccccc2O1)C1CNC1
InChIInChI=1S/C15H20N2O2/c1-2-7-17(12-9-16-10-12)15(18)14-8-11-5-3-4-6-13(11)19-14/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyICAAAUDBQLQNOI-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.20
Rot. Bonds4

About N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 66215662) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID66215662
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)C1Cc2ccccc2O1)C1CNC1
InChIInChI=1S/C15H20N2O2/c1-2-7-17(12-9-16-10-12)15(18)14-8-11-5-3-4-6-13(11)19-14/h3-6,12,14,16H,2,7-10H2,1H3
InChIKeyICAAAUDBQLQNOI-UHFFFAOYSA-N
XLogP1.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
N-ethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60807234
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid
CID 154742647
N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 80659567
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-propylazetidin-3-amine
CID 66363424
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
N-propyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)morpholine-2-carboxamide
CID 119748611

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 66215662) is N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide is CCCN(C(=O)C1Cc2ccccc2O1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ICAAAUDBQLQNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-7-17(12-9-16-10-12)15(18)14-8-11-5-3-4-6-13(11)19-14/h3-6,12,14,16H,2,7-10H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 66215662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).