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

C15H20N2O2 — CID 61092813

IUPAC5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-7-17(10(2)3)15(18)14-9-11-8-12(16)5-6-13(11)19-14/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyDFIJEEQBNPHORL-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.28
Rot. Bonds4

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

5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 61092813) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
PubChem CID61092813
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(C(=O)c1cc2cc(N)ccc2o1)C(C)C
InChIInChI=1S/C15H20N2O2/c1-4-7-17(10(2)3)15(18)14-9-11-8-12(16)5-6-13(11)19-14/h5-6,8-10H,4,7,16H2,1-3H3
InChIKeyDFIJEEQBNPHORL-UHFFFAOYSA-N
XLogP3.28
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-ethyl-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 61094573
5-amino-N-ethyl-N-propyl-1-benzofuran-2-carboxamide
CID 61094776
5-amino-N-butyl-N-ethyl-1-benzofuran-2-carboxamide
CID 61089879
N-(2-bromoethyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 80666605
5-chloro-N-ethyl-N-[(2S)-1-methylsulfonylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 95321771
N-(3-hydroxypropyl)-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 54916950
5-amino-2-(dimethylamino)-N-propan-2-yl-N-propylbenzamide
CID 61095752
N-[(E)-but-2-enyl]-5-fluoro-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 176698289
N,5-dimethyl-N-propyl-1-benzofuran-2-carboxamide
CID 177170487
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

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide (CID 61092813) is 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide is CCCN(C(=O)c1cc2cc(N)ccc2o1)C(C)C.
What is the InChIKey of 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is DFIJEEQBNPHORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-7-17(10(2)3)15(18)14-9-11-8-12(16)5-6-13(11)19-14/h5-6,8-10H,4,7,16H2,1-3H3.
What are the key properties of 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide?
5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-propan-2-yl-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61092813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).