N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

C13H18N2O2 — CID 61350079

IUPACN-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CCN)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-2-15(8-7-14)13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,12H,2,7-9,14H2,1H3
InChIKeyPTLKYMYQPLTQBO-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.80
Rot. Bonds4

About N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 61350079) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID61350079
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCN(CCN)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C13H18N2O2/c1-2-15(8-7-14)13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,12H,2,7-9,14H2,1H3
InChIKeyPTLKYMYQPLTQBO-UHFFFAOYSA-N
XLogP0.80
TPSA55.56 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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 54992715
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 80659567
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
(2R)-N-ethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 135702776
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
N-cyclobutyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 102684830
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340
2-chloro-1-[(2S)-2,3-dihydro-1-benzofuran-2-yl]ethanone
CID 93494296

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 61350079) is N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide is CCN(CCN)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is PTLKYMYQPLTQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-15(8-7-14)13(16)12-9-10-5-3-4-6-11(10)17-12/h3-6,12H,2,7-9,14H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61350079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).