7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide

C17H24N2O2 — CID 43708933

IUPAC7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-13(19-17(20)10-4-2-3-7-11-18)16-12-14-8-5-6-9-15(14)21-16/h5-6,8-9,12-13H,2-4,7,10-11,18H2,1H3,(H,19,20)
InChIKeyUNKFXVBWUVCKPQ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.52
Rot. Bonds8

About 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide

7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide (PubChem CID 43708933) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
PubChem CID43708933
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide
SMILESCC(NC(=O)CCCCCCN)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-13(19-17(20)10-4-2-3-7-11-18)16-12-14-8-5-6-9-15(14)21-16/h5-6,8-9,12-13H,2-4,7,10-11,18H2,1H3,(H,19,20)
InChIKeyUNKFXVBWUVCKPQ-UHFFFAOYSA-N
XLogP3.52
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.52
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

N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
N-[1-(1-benzofuran-2-yl)ethyl]-3-(propan-2-ylamino)propanamide
CID 60854523
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
3-(2-amino-2-oxoethyl)sulfanyl-N-[1-(1-benzofuran-2-yl)ethyl]propanamide
CID 42950327
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-phenylsulfanylpropanamide
CID 9366374
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809
3-(benzenesulfonyl)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]propanamide
CID 9366803
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[1-(1-benzofuran-2-yl)ethyl]-4-(2,5-dioxoimidazolidin-1-yl)butanamide
CID 84993401
N-[1-(1-benzofuran-2-yl)ethyl]-3-cyclohexylpropanamide
CID 18198408

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide?
The IUPAC name of 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide (CID 43708933) is 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide is CC(NC(=O)CCCCCCN)c1cc2ccccc2o1.
What is the InChIKey of 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide?
The InChIKey is UNKFXVBWUVCKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13(19-17(20)10-4-2-3-7-11-18)16-12-14-8-5-6-9-15(14)21-16/h5-6,8-9,12-13H,2-4,7,10-11,18H2,1H3,(H,19,20).
What are the key properties of 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide?
7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide has a molecular weight of 288.39 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(1-benzofuran-2-yl)ethyl]heptanamide is sourced from PubChem (CID 43708933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).