N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide

C14H13NO2 — CID 78959159

IUPACN-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
SMILESC#CCN(CC)C(=O)c1coc2ccccc12
InChIInChI=1S/C14H13NO2/c1-3-9-15(4-2)14(16)12-10-17-13-8-6-5-7-11(12)13/h1,5-8,10H,4,9H2,2H3
InChIKeyBSPHOARHJQGTAO-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.53
Rot. Bonds3

About N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide

N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide (PubChem CID 78959159) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
PubChem CID78959159
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC NameN-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide
SMILESC#CCN(CC)C(=O)c1coc2ccccc12
InChIInChI=1S/C14H13NO2/c1-3-9-15(4-2)14(16)12-10-17-13-8-6-5-7-11(12)13/h1,5-8,10H,4,9H2,2H3
InChIKeyBSPHOARHJQGTAO-UHFFFAOYSA-N
XLogP2.53
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-ethyl-N-prop-2-ynyl-1-benzofuran-3-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-ethyl-1-hydroxy-N-prop-2-ynylnaphthalene-2-carboxamide
CID 78971167
2-[1-benzofuran-3-carbonyl-[2-(dimethylamino)ethyl]amino]acetic acid
CID 103802927
N-hex-5-ynyl-1-benzofuran-3-carboxamide
CID 103757829
N-(cyclopropylmethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77086659
N-ethyl-2-hydroxy-3-methyl-N-prop-2-ynylbenzamide
CID 78971076
N-(2-amino-2-hydroxyiminoethyl)-N-propyl-1-benzofuran-3-carboxamide
CID 77020847
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
CID 78918007
N-[2-(dimethylamino)ethyl]-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-3-carboxamide
CID 99123443
N-ethyl-N-(oxolan-3-yl)-1-benzofuran-3-carboxamide
CID 136544061
N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1-benzofuran-3-carboxamide
CID 115760134
N-(2-bromoethyl)-N-pentan-3-yl-1-benzofuran-3-carboxamide
CID 80671740
N,N-bis(pyridin-3-ylmethyl)-1-benzofuran-3-carboxamide
CID 77094774

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide?
The IUPAC name of N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide (CID 78959159) is N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide?
The canonical SMILES for N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide is C#CCN(CC)C(=O)c1coc2ccccc12.
What is the InChIKey of N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide?
The InChIKey is BSPHOARHJQGTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-3-9-15(4-2)14(16)12-10-17-13-8-6-5-7-11(12)13/h1,5-8,10H,4,9H2,2H3.
What are the key properties of N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide?
N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide has a molecular weight of 227.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-prop-2-ynyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 78959159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).