5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide

C14H18N2O2 — CID 61094573

IUPAC5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C14H18N2O2/c1-4-16(9(2)3)14(17)13-8-10-7-11(15)5-6-12(10)18-13/h5-9H,4,15H2,1-3H3
InChIKeyFNPYAZDMKGJIDK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds3

About 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide

5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide (PubChem CID 61094573) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
PubChem CID61094573
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
SMILESCCN(C(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C14H18N2O2/c1-4-16(9(2)3)14(17)13-8-10-7-11(15)5-6-12(10)18-13/h5-9H,4,15H2,1-3H3
InChIKeyFNPYAZDMKGJIDK-UHFFFAOYSA-N
XLogP2.89
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
CID 61092813
5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 95321771
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
5-amino-N-ethyl-N-[2-(methylamino)-2-oxoethyl]-1-benzofuran-2-carboxamide
CID 61094259
5-amino-N-(2-amino-2-oxoethyl)-N-methyl-1-benzofuran-2-carboxamide
CID 61092833
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210
N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 176698289
5-amino-N-(2-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 61469067

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide (CID 61094573) is 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide is CCN(C(=O)c1cc2cc(N)ccc2o1)C(C)C.
What is the InChIKey of 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide?
The InChIKey is FNPYAZDMKGJIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-16(9(2)3)14(17)13-8-10-7-11(15)5-6-12(10)18-13/h5-9H,4,15H2,1-3H3.
What are the key properties of 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide?
5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61094573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).