N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C16H24N2O2 — CID 106286086

IUPACN-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O2/c1-3-11(4-2)14(17)10-18-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyCAJARCUHNOVVMV-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.11
Rot. Bonds6

About N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 106286086) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID106286086
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCCC(CC)C(N)CNC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H24N2O2/c1-3-11(4-2)14(17)10-18-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3,(H,18,19)
InChIKeyCAJARCUHNOVVMV-UHFFFAOYSA-N
XLogP2.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-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-(3-amino-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62667060
methyl 3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoate
CID 103879254
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-(3-chloro-2-methylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114302534
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-hydroxypropanoic acid
CID 66166416
N-(3,3-dimethyl-2-oxobutyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 64992032
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
N-(2-amino-3-ethylpentyl)-3,4-dimethylbenzamide
CID 106285997
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-(2-methylprop-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114618555
4-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylbutanoic acid
CID 80539298

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 106286086) is N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide is CCC(CC)C(N)CNC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is CAJARCUHNOVVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-11(4-2)14(17)10-18-16(19)13-5-6-15-12(9-13)7-8-20-15/h5-6,9,11,14H,3-4,7-8,10,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-ethylpentyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 106286086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).