N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide

C15H21NO3 — CID 63742331

IUPACN-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H21NO3/c1-2-3-6-16(7-8-17)15(18)12-4-5-13-10-19-11-14(13)9-12/h4-5,9,17H,2-3,6-8,10-11H2,1H3
InChIKeyRFDZUORXJGYHHH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide

N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 63742331) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID63742331
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCCCCN(CCO)C(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C15H21NO3/c1-2-3-6-16(7-8-17)15(18)12-4-5-13-10-19-11-14(13)9-12/h4-5,9,17H,2-3,6-8,10-11H2,1H3
InChIKeyRFDZUORXJGYHHH-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-N-propan-2-yl-1,3-dihydro-2-benzofuran-5-carboxamide
CID 63744371
6-amino-N-butyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 62160208
N-butyl-4-fluoro-N-(2-hydroxyethyl)-3-methylbenzamide
CID 63213761
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
3-bromo-N-butyl-4-chloro-N-(2-hydroxyethyl)benzamide
CID 103853206
1-(1,3-dihydro-2-benzofuran-5-yl)hexan-1-one
CID 25187486
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
N,N-dibutylnaphthalene-2-carboxamide
CID 154151885
N-(2-hydroxyethyl)-N-methyl-3,4-dihydro-1H-isochromene-6-carboxamide
CID 67621245
6-amino-N-butyl-N-(2-hydroxyethyl)-1,3-benzodioxole-5-carboxamide
CID 103542913
4-amino-N,N-dibutyl-3-methylbenzamide
CID 28982328
N-butyl-3-fluoro-N-(2-hydroxyethyl)-4-nitrobenzamide
CID 62680732

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 63742331) is N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide is CCCCN(CCO)C(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is RFDZUORXJGYHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-3-6-16(7-8-17)15(18)12-4-5-13-10-19-11-14(13)9-12/h4-5,9,17H,2-3,6-8,10-11H2,1H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 63742331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).