2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride

C16H23ClN2O2 — CID 119296949

IUPAC2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1oc2ccccc2c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-4-7-13(17)16(19)18-11(3)15-10(2)12-8-5-6-9-14(12)20-15;/h5-6,8-9,11,13H,4,7,17H2,1-3H3,(H,18,19);1H
InChIKeyDLPCKPVZITWMIW-UHFFFAOYSA-N
MW310.82 g/mol
LogP3.47
Rot. Bonds5

About 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride

2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride (PubChem CID 119296949) has the molecular formula C16H23ClN2O2 and a molecular weight of 310.82 g/mol. Its IUPAC name is 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
PubChem CID119296949
Molecular FormulaC16H23ClN2O2
Molecular Weight310.82 g/mol
Exact Mass310.14
IUPAC Name2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
SMILESCCCC(N)C(=O)NC(C)c1oc2ccccc2c1C.Cl
InChIInChI=1S/C16H22N2O2.ClH/c1-4-7-13(17)16(19)18-11(3)15-10(2)12-8-5-6-9-14(12)20-15;/h5-6,8-9,11,13H,4,7,17H2,1-3H3,(H,18,19);1H
InChIKeyDLPCKPVZITWMIW-UHFFFAOYSA-N
XLogP3.47
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.82
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-methyl-1-(3-methyl-1-benzofuran-2-yl)propyl]pentanamide;hydrochloride
CID 119323150
2-amino-N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119319244
2-methyl-3-(methylamino)-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119737278
(2S)-2-amino-3,3-dimethyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]butanamide
CID 119737273
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]propanamide
CID 43778207
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]-N-propylacetamide
CID 43777777
2-amino-N-[1-(2-bromophenyl)ethyl]pentanamide;hydrochloride
CID 119269427
N-ethyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]acetamide
CID 43777697
1-(1-ethylpiperidin-4-yl)-3-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]urea
CID 166532114
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride (CID 119296949) is 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride is CCCC(N)C(=O)NC(C)c1oc2ccccc2c1C.Cl.
What is the InChIKey of 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
The InChIKey is DLPCKPVZITWMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2.ClH/c1-4-7-13(17)16(19)18-11(3)15-10(2)12-8-5-6-9-14(12)20-15;/h5-6,8-9,11,13H,4,7,17H2,1-3H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride?
2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride has a molecular weight of 310.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride is sourced from PubChem (CID 119296949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).