N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

C12H17NO3 — CID 2943069

IUPACN-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCO)CCCC2
InChIInChI=1S/C12H17NO3/c1-8-11(12(15)13-6-7-14)9-4-2-3-5-10(9)16-8/h14H,2-7H2,1H3,(H,13,15)
InChIKeyNWFUDYDTIKJGTP-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.19
Rot. Bonds3

About N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide

N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (PubChem CID 2943069) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
PubChem CID2943069
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
SMILESCc1oc2c(c1C(=O)NCCO)CCCC2
InChIInChI=1S/C12H17NO3/c1-8-11(12(15)13-6-7-14)9-4-2-3-5-10(9)16-8/h14H,2-7H2,1H3,(H,13,15)
InChIKeyNWFUDYDTIKJGTP-UHFFFAOYSA-N
XLogP1.19
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-Methyl-4,5,6,7-Tetrahydro-Benzofuran-3-Carbonyl)-Amino]-Butyric Acid
CID 595720
N-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)carbonyl]methionine
CID 596046
N-benzyl-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 2194475
Benzofurane-3-carboxamide, 4,5,6,7-tetrahydro-2-methyl-
CID 601519
N-cycloheptyl-4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxamide
CID 4851981
[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 110156824
[(5S,9S)-9-hydroxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-yl)methanone
CID 110156825
5-tert-butyl-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 1725534
3-[(3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl)carbonyl]-2-methyl-6,7-dihydro-1-benzofuran-4(5H)-one
CID 70780440
N-1,9-dioxaspiro[5.5]undec-4-yl-2-methyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide
CID 70780668
5-(3-Methoxypropanoyl)-N,N,2-trimethyl-4H,5H,6H,7H-furo[3,2-C]pyridine-3-carboxamide
CID 91925094
N-[2-(dimethylamino)ethyl]-2-methyl-5-propionyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide
CID 91925104

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide (CID 2943069) is N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is Cc1oc2c(c1C(=O)NCCO)CCCC2.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
The InChIKey is NWFUDYDTIKJGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-11(12(15)13-6-7-14)9-4-2-3-5-10(9)16-8/h14H,2-7H2,1H3,(H,13,15).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide?
N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide has a molecular weight of 223.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 2943069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).