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

C14H20N2O2 — CID 113295190

IUPACN-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CN)CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c1-14(2,8-15)9-16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-6,12H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyFYJYPBXQJUWTFB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.09
Rot. Bonds4

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

N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 113295190) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID113295190
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCC(C)(CN)CNC(=O)C1Cc2ccccc2O1
InChIInChI=1S/C14H20N2O2/c1-14(2,8-15)9-16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-6,12H,7-9,15H2,1-2H3,(H,16,17)
InChIKeyFYJYPBXQJUWTFB-UHFFFAOYSA-N
XLogP1.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,2-dimethylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106141090
N-(4-chloro-2,2-dimethylbutyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 114149349
N-(2-amino-4-methylpentyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 107158766
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(3-amino-3-hydroxyimino-2-methylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 76953003
N-[3-[(3-amino-2,2-dimethylpropyl)-methylcarbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119654477
N-[2-methyl-2-(3-methylpiperidin-1-yl)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60568818
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61125933
N-[[3-(aminomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43589376

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 113295190) is N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is CC(C)(CN)CNC(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is FYJYPBXQJUWTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2,8-15)9-16-13(17)12-7-10-5-3-4-6-11(10)18-12/h3-6,12H,7-9,15H2,1-2H3,(H,16,17).
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 113295190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).