N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide

C14H18N2O2 — CID 115157997

IUPACN-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-3-15-8-14(17)16(2)9-11-10-18-13-7-5-4-6-12(11)13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyRAQMIPMDCPGSFF-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.00
Rot. Bonds5

About N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide

N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide (PubChem CID 115157997) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
PubChem CID115157997
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)Cc1coc2ccccc12
InChIInChI=1S/C14H18N2O2/c1-3-15-8-14(17)16(2)9-11-10-18-13-7-5-4-6-12(11)13/h4-7,10,15H,3,8-9H2,1-2H3
InChIKeyRAQMIPMDCPGSFF-UHFFFAOYSA-N
XLogP2.00
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115139234
N-(1-benzofuran-3-ylmethyl)-4-hydroxy-N-methylbutanamide
CID 115163073
4-amino-N-(1-benzofuran-3-ylmethyl)-N,3-dimethylbutanamide
CID 115156426
2-(1-benzofuran-3-yl)-N-benzyl-N-methylacetamide
CID 110851126
N-[(2-chlorophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60685447
N-[(2-bromophenyl)methyl]-2-(ethylamino)-N-methylacetamide
CID 60641092
2-amino-N-(1-benzofuran-3-ylmethyl)-3-hydroxy-N-methylpropanamide
CID 115180017
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
CID 115128507
2-(1-benzofuran-3-yl)-N-methyl-N-phenylacetamide
CID 110856943
N-[2-(1-benzofuran-3-yl)ethyl]-N-methyl-2-oxoacetamide
CID 115166767
2-amino-N-[2-(1-benzofuran-3-yl)ethyl]-N-methylacetamide
CID 115151779
N'-(1-benzofuran-3-ylmethyl)-N-ethylpropane-1,3-diamine
CID 113410163

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide (CID 115157997) is N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)Cc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide?
The InChIKey is RAQMIPMDCPGSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-15-8-14(17)16(2)9-11-10-18-13-7-5-4-6-12(11)13/h4-7,10,15H,3,8-9H2,1-2H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide?
N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide has a molecular weight of 246.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 115157997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).