N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide

C14H18N2O2 — CID 66089049

IUPACN-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(CCN)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-10(6-7-15)9-16-14(17)13-8-11-4-2-3-5-12(11)18-13/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17)
InChIKeyZECYGUSOSISDKM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.15
Rot. Bonds5

About N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide

N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 66089049) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
PubChem CID66089049
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(CCN)CNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C14H18N2O2/c1-10(6-7-15)9-16-14(17)13-8-11-4-2-3-5-12(11)18-13/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17)
InChIKeyZECYGUSOSISDKM-UHFFFAOYSA-N
XLogP2.15
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116
N-(2-chloropropyl)-1-benzofuran-2-carboxamide
CID 114296217
N-(2-aminopropyl)-1-benzofuran-2-carboxamide;hydrochloride
CID 69484360
N-[(2R)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9302248
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
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[(2S)-2-amino-2-phenylethyl]-1-benzofuran-2-carboxamide
CID 150997977
N-(2-chloro-3-methoxypropyl)-1-benzofuran-2-carboxamide
CID 113271992
N-(4-amino-2-methylbutyl)quinoline-2-carboxamide
CID 66089499
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide (CID 66089049) is N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide is CC(CCN)CNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is ZECYGUSOSISDKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10(6-7-15)9-16-14(17)13-8-11-4-2-3-5-12(11)18-13/h2-5,8,10H,6-7,9,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide?
N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 66089049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).