N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide

C16H15NO2 — CID 113330085

IUPACN-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H15NO2/c1-2-9-17(11-12-7-8-12)16(18)15-10-13-5-3-4-6-14(13)19-15/h1,3-6,10,12H,7-9,11H2
InChIKeyCCUYWKSVGUTHQZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.92
Rot. Bonds4

About N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide

N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide (PubChem CID 113330085) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide
PubChem CID113330085
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC NameN-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide
SMILESC#CCN(CC1CC1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C16H15NO2/c1-2-9-17(11-12-7-8-12)16(18)15-10-13-5-3-4-6-14(13)19-15/h1,3-6,10,12H,7-9,11H2
InChIKeyCCUYWKSVGUTHQZ-UHFFFAOYSA-N
XLogP2.92
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-N-prop-2-ynyl-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-(cyclobutylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 95225190
N-prop-2-ynyl-1-benzofuran-2-carboxamide
CID 60646228
N-(cyclopropylmethyl)-2,5-dimethyl-N-prop-2-ynylbenzamide
CID 115532676
1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
1-benzofuran-2-yl(piperidin-4-yl)methanone
CID 82275112
1-(1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736946
N-benzyl-N-ethyl-1-benzofuran-2-carboxamide
CID 110698803
N-(2-aminoethyl)-N-cyclopentyl-1-benzofuran-2-carboxamide
CID 63754807
N-cyclohexyl-N-ethyl-1-benzofuran-2-carboxamide
CID 60592186
N-(cyclopropylmethyl)-N-prop-2-ynylthiophene-3-carboxamide
CID 115532695
N-(2-bromoethyl)-N-ethyl-1-benzofuran-2-carboxamide
CID 80660638
N-(cyclopropylmethyl)-2-(4-fluorophenyl)-N-prop-2-ynylacetamide
CID 113330077

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide (CID 113330085) is N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide is C#CCN(CC1CC1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide?
The InChIKey is CCUYWKSVGUTHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-9-17(11-12-7-8-12)16(18)15-10-13-5-3-4-6-14(13)19-15/h1,3-6,10,12H,7-9,11H2.
What are the key properties of N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide?
N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-prop-2-ynyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 113330085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).