N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H19NO3 — CID 102684830

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(C1Cc2ccccc2O1)N(CCO)C1CCC1
InChIInChI=1S/C15H19NO3/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,12,14,17H,3,5-6,8-10H2
InChIKeyLFXJDQHYJDGKSS-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.36
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 102684830) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID102684830
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(C1Cc2ccccc2O1)N(CCO)C1CCC1
InChIInChI=1S/C15H19NO3/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,12,14,17H,3,5-6,8-10H2
InChIKeyLFXJDQHYJDGKSS-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloroethyl)-N-cyclopentyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 63391507
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
2-[2,3-dihydro-1-benzofuran-2-carbonyl(oxan-4-yl)amino]acetic acid
CID 154742647
5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43577374
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662
N-ethyl-N-piperidin-3-yl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60807234
(2S)-N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 99778566
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
2-[cyclobutyl(2,3-dihydro-1-benzofuran-2-ylmethyl)amino]ethanol
CID 102676518
N-[2-(chloromethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106365967
(2R)-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9082273

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 102684830) is N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(C1Cc2ccccc2O1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is LFXJDQHYJDGKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-9-8-16(12-5-3-6-12)15(18)14-10-11-4-1-2-7-13(11)19-14/h1-2,4,7,12,14,17H,3,5-6,8-10H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102684830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).