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

C12H14N2O2 — CID 83620719

IUPAC2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CN)oc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8-9-4-2-3-5-10(9)16-11(8)7-14-12(15)6-13/h2-5H,6-7,13H2,1H3,(H,14,15)
InChIKeyBIFLVNYERRVGSI-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds3

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

2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide (PubChem CID 83620719) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
PubChem CID83620719
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
SMILESCc1c(CNC(=O)CN)oc2ccccc12
InChIInChI=1S/C12H14N2O2/c1-8-9-4-2-3-5-10(9)16-11(8)7-14-12(15)6-13/h2-5H,6-7,13H2,1H3,(H,14,15)
InChIKeyBIFLVNYERRVGSI-UHFFFAOYSA-N
XLogP1.32
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide;hydrochloride
CID 143612119
2-amino-2-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]pentanamide
CID 119789592
2-(cyclopropylmethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789569
1-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119327004
2-(2-methoxyethylamino)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide;hydrochloride
CID 119789587
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86960098
N-[(3-methyl-1-benzofuran-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 70734151
3-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119789555
4-[[[N'-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]carbamimidoyl]amino]methyl]benzamide
CID 111602497
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 72907586
N-tert-butyl-2-(3-methyl-1-benzofuran-2-yl)acetamide
CID 102134690
2-[(4S)-1,3-dimethyl-2,5-dioxoimidazolidin-4-yl]-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 97118509

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The IUPAC name of 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide (CID 83620719) is 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide is Cc1c(CNC(=O)CN)oc2ccccc12.
What is the InChIKey of 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
The InChIKey is BIFLVNYERRVGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8-9-4-2-3-5-10(9)16-11(8)7-14-12(15)6-13/h2-5H,6-7,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide?
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide is sourced from PubChem (CID 83620719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).