N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C13H18N2O2 — CID 110698814

IUPACN-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)CCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-15(2)8-7-14-13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,12H,7-9H2,1-2H3,(H,14,16)
InChIKeyUCQLXOGTAYARIF-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.67
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 110698814) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID110698814
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCN(C)CCNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-15(2)8-7-14-13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,12H,7-9H2,1-2H3,(H,14,16)
InChIKeyUCQLXOGTAYARIF-UHFFFAOYSA-N
XLogP0.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[4-(N-methylanilino)butyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60566180
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51073673
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
(2R)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083429
(2R)-N-[2-(4-tert-butylphenoxy)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37007441
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 110698814) is N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is CN(C)CCNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is UCQLXOGTAYARIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-15(2)8-7-14-13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,12H,7-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 110698814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).