2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide

C13H20N2O2 — CID 61273942

IUPAC2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
SMILESCCCC(N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C13H20N2O2/c1-2-4-10(14)13(16)15-11-5-3-6-12-9(11)7-8-17-12/h7-8,10-11H,2-6,14H2,1H3,(H,15,16)
InChIKeyGEUPTWHNKGRGDX-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.90
Rot. Bonds4

About 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide

2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide (PubChem CID 61273942) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide.

Molecular Properties

Compound Name2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
PubChem CID61273942
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
SMILESCCCC(N)C(=O)NC1CCCc2occc21
InChIInChI=1S/C13H20N2O2/c1-2-4-10(14)13(16)15-11-5-3-6-12-9(11)7-8-17-12/h7-8,10-11H,2-6,14H2,1H3,(H,15,16)
InChIKeyGEUPTWHNKGRGDX-UHFFFAOYSA-N
XLogP1.90
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methoxy-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)butanamide
CID 62477129
(2S)-2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 61274318
2-amino-3-methyl-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide
CID 61273758
2-(butan-2-ylamino)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 61273578
2,2,2-trifluoroethyl N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)carbamate
CID 61068662
1-(4-ethylphenyl)-3-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)urea
CID 78891853
2-[1-(aminomethyl)cyclobutyl]-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)acetamide
CID 81172884
2-amino-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]pentanamide;hydrochloride
CID 119310232
4-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)oxane-4-carboxamide
CID 115294623
N-propyl-2-(4,5,6,7-tetrahydro-1-benzofuran-4-ylamino)acetamide
CID 115466077
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)pentanamide;hydrochloride
CID 119268919
N-heptan-2-yl-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43094167

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
The IUPAC name of 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide (CID 61273942) is 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide.
What is the SMILES notation for 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
The canonical SMILES for 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide is CCCC(N)C(=O)NC1CCCc2occc21.
What is the InChIKey of 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
The InChIKey is GEUPTWHNKGRGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-2-4-10(14)13(16)15-11-5-3-6-12-9(11)7-8-17-12/h7-8,10-11H,2-6,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide?
2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)pentanamide is sourced from PubChem (CID 61273942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).