N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide

C15H20N2O2 — CID 119799114

IUPACN-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1cc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-16-9-4-7-15(18)17-10-8-13-11-12-5-2-3-6-14(12)19-13/h2-3,5-6,11,16H,4,7-10H2,1H3,(H,17,18)
InChIKeyDPAIFJSPBSXLEE-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.09
Rot. Bonds7

About N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide

N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide (PubChem CID 119799114) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide.

Molecular Properties

Compound NameN-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
PubChem CID119799114
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide
SMILESCNCCCC(=O)NCCc1cc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-16-9-4-7-15(18)17-10-8-13-11-12-5-2-3-6-14(12)19-13/h2-3,5-6,11,16H,4,7-10H2,1H3,(H,17,18)
InChIKeyDPAIFJSPBSXLEE-UHFFFAOYSA-N
XLogP2.09
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)-N-(2-naphthalen-1-ylethyl)butanamide;hydrochloride
CID 119722500
1-[2-(1-benzofuran-2-yl)ethyl]-3-(3-hydroxybutyl)urea
CID 111444232
4-(methylamino)-N-[2-(3-methylphenyl)ethyl]butanamide;hydrochloride
CID 119745493
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(1-benzofuran-2-yl)ethyl]acetamide
CID 119799136
N-[2-(2,6-dimethylphenyl)ethyl]-4-(methylamino)butanamide
CID 119788029
1-(1-benzofuran-2-yl)-3-(methylamino)propan-1-one
CID 114736388
N-[2-(3-methoxyphenyl)ethyl]-4-(methylamino)butanamide
CID 113266225
N-[3-(1-benzofuran-2-yl)propyl]-2,6-difluorobenzamide
CID 121020588
1-[2-(1-benzofuran-2-yl)ethyl]-3-(thiophen-2-ylmethyl)urea
CID 166212107
3-[4-[[3-(1-benzofuran-2-yl)propanoylamino]methyl]phenyl]propanoic acid
CID 167847200
1-[3-(1-benzofuran-2-yl)propyl]-3-[(4-methoxyphenyl)methyl]urea
CID 121020618
N-[2-(1-benzofuran-2-yl)ethyl]-2-methyl-1,1-dioxo-1,4-thiazinane-4-carboxamide
CID 154758945

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide?
The IUPAC name of N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide (CID 119799114) is N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide.
What is the SMILES notation for N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide?
The canonical SMILES for N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide is CNCCCC(=O)NCCc1cc2ccccc2o1.
What is the InChIKey of N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide?
The InChIKey is DPAIFJSPBSXLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-16-9-4-7-15(18)17-10-8-13-11-12-5-2-3-6-14(12)19-13/h2-3,5-6,11,16H,4,7-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide?
N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide has a molecular weight of 260.34 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzofuran-2-yl)ethyl]-4-(methylamino)butanamide is sourced from PubChem (CID 119799114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).