N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

C16H23NO3 — CID 115691489

IUPACN-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H23NO3/c1-10(18)8-9-17(4)16(19)14-7-5-6-13-11(2)12(3)20-15(13)14/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeyFUUHVRNKXMTMMG-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.41
Rot. Bonds4

About N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide

N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 115691489) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID115691489
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESCC(O)CCN(C)C(=O)c1cccc2c1OC(C)C2C
InChIInChI=1S/C16H23NO3/c1-10(18)8-9-17(4)16(19)14-7-5-6-13-11(2)12(3)20-15(13)14/h5-7,10-12,18H,8-9H2,1-4H3
InChIKeyFUUHVRNKXMTMMG-UHFFFAOYSA-N
XLogP2.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide (CID 115691489) is N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is CC(O)CCN(C)C(=O)c1cccc2c1OC(C)C2C.
What is the InChIKey of N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is FUUHVRNKXMTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(18)8-9-17(4)16(19)14-7-5-6-13-11(2)12(3)20-15(13)14/h5-7,10-12,18H,8-9H2,1-4H3.
What are the key properties of N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide?
N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N,2,3-trimethyl-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 115691489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).