2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide

C14H18N2O2 — CID 115151866

IUPAC2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CN)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,9-16-13(17)7-15)11-8-18-12-6-4-3-5-10(11)12/h3-6,8H,7,9,15H2,1-2H3,(H,16,17)
InChIKeyRECGGKXVYNRZHS-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.79
Rot. Bonds4

About 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide

2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide (PubChem CID 115151866) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
PubChem CID115151866
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide
SMILESCC(C)(CNC(=O)CN)c1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-14(2,9-16-13(17)7-15)11-8-18-12-6-4-3-5-10(11)12/h3-6,8H,7,9,15H2,1-2H3,(H,16,17)
InChIKeyRECGGKXVYNRZHS-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1-benzofuran-3-yl)-2-methylpropyl]urea
CID 115168850
2-(1-benzofuran-3-yl)-N-(chloromethyl)-2-methylpropan-1-amine
CID 115263718
2-amino-N-[2-(2-methoxyphenyl)-2-methylpropyl]acetamide
CID 115151861
2-(1-benzofuran-3-yl)-2-methylpropanoic acid
CID 84734012
1-[1,1-bis(1-benzofuran-3-yl)ethyl]-1-hydroxyurea
CID 57028878
N-[2-(1-benzofuran-3-yl)propan-2-yl]-2-cyanoacetamide
CID 116829523
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide
CID 119319554
2-(1-benzofuran-3-yl)-N',N',2-trimethylpropanehydrazide
CID 116848268
2-amino-N-[2-methyl-2-(1H-pyrrol-2-yl)propyl]acetamide
CID 115151835
2-amino-N-[2-(2,6-dichlorophenyl)-2-methylpropyl]acetamide;hydrochloride
CID 119319553
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide?
The IUPAC name of 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide (CID 115151866) is 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide is CC(C)(CNC(=O)CN)c1coc2ccccc12.
What is the InChIKey of 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide?
The InChIKey is RECGGKXVYNRZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,9-16-13(17)7-15)11-8-18-12-6-4-3-5-10(11)12/h3-6,8H,7,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide?
2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide has a molecular weight of 246.31 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1-benzofuran-3-yl)-2-methylpropyl]acetamide is sourced from PubChem (CID 115151866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).