2-(1-benzofuran-2-ylmethylamino)propanamide

C12H14N2O2 — CID 43402391

IUPAC2-(1-benzofuran-2-ylmethylamino)propanamide
SMILESCC(NCc1cc2ccccc2o1)C(N)=O
InChIInChI=1S/C12H14N2O2/c1-8(12(13)15)14-7-10-6-9-4-2-3-5-11(9)16-10/h2-6,8,14H,7H2,1H3,(H2,13,15)
InChIKeyPIFLTXWISHYDTC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.40
Rot. Bonds4

About 2-(1-benzofuran-2-ylmethylamino)propanamide

2-(1-benzofuran-2-ylmethylamino)propanamide (PubChem CID 43402391) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1-benzofuran-2-ylmethylamino)propanamide.

Molecular Properties

Compound Name2-(1-benzofuran-2-ylmethylamino)propanamide
PubChem CID43402391
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1-benzofuran-2-ylmethylamino)propanamide
SMILESCC(NCc1cc2ccccc2o1)C(N)=O
InChIInChI=1S/C12H14N2O2/c1-8(12(13)15)14-7-10-6-9-4-2-3-5-11(9)16-10/h2-6,8,14H,7H2,1H3,(H2,13,15)
InChIKeyPIFLTXWISHYDTC-UHFFFAOYSA-N
XLogP1.40
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-benzofuran-2-ylmethylamino)propan-1-ol
CID 93082461
(2S)-2-(1-benzofuran-2-ylmethylamino)-3-methylbutan-1-ol
CID 79254599
(1S)-N-(1-benzofuran-2-ylmethyl)-1-phenylethanamine
CID 28609841
N-(1-benzofuran-2-ylmethyl)-1-methoxypropan-2-amine
CID 43180579
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(furan-2-yl)ethanamine
CID 81403388
(1R)-N-(1-benzofuran-2-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 28653087
3-(1-benzofuran-2-ylmethylamino)-2-methylsulfanylbutan-1-ol
CID 103685027
(2S)-1-(1-benzofuran-2-yl)-2-(ethylamino)propan-1-one
CID 171632707
2-[2-(1-benzofuran-2-ylmethylamino)phenyl]acetamide
CID 43738402
N-(1-benzofuran-2-ylmethyl)-1-ethoxy-3-methylbutan-2-amine
CID 103271023
N-(1-benzofuran-2-ylmethyl)-2-methyl-3-phenylsulfanylpropanamide
CID 86933667

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-ylmethylamino)propanamide?
The IUPAC name of 2-(1-benzofuran-2-ylmethylamino)propanamide (CID 43402391) is 2-(1-benzofuran-2-ylmethylamino)propanamide.
What is the SMILES notation for 2-(1-benzofuran-2-ylmethylamino)propanamide?
The canonical SMILES for 2-(1-benzofuran-2-ylmethylamino)propanamide is CC(NCc1cc2ccccc2o1)C(N)=O.
What is the InChIKey of 2-(1-benzofuran-2-ylmethylamino)propanamide?
The InChIKey is PIFLTXWISHYDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(12(13)15)14-7-10-6-9-4-2-3-5-11(9)16-10/h2-6,8,14H,7H2,1H3,(H2,13,15).
What are the key properties of 2-(1-benzofuran-2-ylmethylamino)propanamide?
2-(1-benzofuran-2-ylmethylamino)propanamide has a molecular weight of 218.26 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-ylmethylamino)propanamide is sourced from PubChem (CID 43402391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).