(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide

C15H20N2O2 — CID 107568604

IUPAC(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-3-6-12(16)15(18)17-10(2)14-9-11-7-4-5-8-13(11)19-14/h4-5,7-10,12H,3,6,16H2,1-2H3,(H,17,18)/t10?,12-/m0/s1
InChIKeyPWLOEEXVNGDZRR-KFJBMODSSA-N
MW260.34 g/mol
LogP2.74
Rot. Bonds5

About (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide (PubChem CID 107568604) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
PubChem CID107568604
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
SMILESCCC[C@H](N)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C15H20N2O2/c1-3-6-12(16)15(18)17-10(2)14-9-11-7-4-5-8-13(11)19-14/h4-5,7-10,12H,3,6,16H2,1-2H3,(H,17,18)/t10?,12-/m0/s1
InChIKeyPWLOEEXVNGDZRR-KFJBMODSSA-N
XLogP2.74
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
CID 79809165
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
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929440
(2R)-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 38929442
(2S)-2-amino-N-[1-(furan-2-yl)ethyl]pentanamide
CID 107568236
2-amino-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]pentanamide;hydrochloride
CID 119296949
N-[1-(1-benzofuran-2-yl)ethyl]-2-(carbamoylamino)-4-methylsulfanylbutanamide
CID 78811549

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide (CID 107568604) is (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide is CCC[C@H](N)C(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide?
The InChIKey is PWLOEEXVNGDZRR-KFJBMODSSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-3-6-12(16)15(18)17-10(2)14-9-11-7-4-5-8-13(11)19-14/h4-5,7-10,12H,3,6,16H2,1-2H3,(H,17,18)/t10?,12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide?
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide has a molecular weight of 260.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide is sourced from PubChem (CID 107568604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).