N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide

C14H18N2O2 — CID 113376830

IUPACN-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(N)CC(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-9(15)7-10(2)16-14(17)13-8-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,16,17)
InChIKeyXCFSDIQBRATMIN-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.29
Rot. Bonds4

About N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide

N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide (PubChem CID 113376830) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
PubChem CID113376830
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide
SMILESCC(N)CC(C)NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-9(15)7-10(2)16-14(17)13-8-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,16,17)
InChIKeyXCFSDIQBRATMIN-UHFFFAOYSA-N
XLogP2.29
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-aminopentan-2-yl)-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-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-(1-hydroxy-4-methylpentan-3-yl)-1-benzofuran-2-carboxamide
CID 103751093
methyl 2-(1-benzofuran-2-carbonylamino)propanoate
CID 19167935
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-(1-cyanoethyl)-1-benzofuran-2-carboxamide
CID 61119262
N-(1-cyano-2-methylpropyl)-1-benzofuran-2-carboxamide
CID 63941032
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
methyl 2-(1-benzofuran-2-carbonylamino)-3-hydroxypropanoate
CID 43405796
N-[(2R)-2-amino-3-methylbutyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 69484472
N-[2-(2-hydroxyethyl)-4-methylpentyl]-1-benzofuran-2-carboxamide
CID 111662507

Frequently Asked Questions

What is the IUPAC name of N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide (CID 113376830) is N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide is CC(N)CC(C)NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide?
The InChIKey is XCFSDIQBRATMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9(15)7-10(2)16-14(17)13-8-11-5-3-4-6-12(11)18-13/h3-6,8-10H,7,15H2,1-2H3,(H,16,17).
What are the key properties of N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide?
N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminopentan-2-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 113376830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).