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

C16H22N2O2 — CID 79809165

IUPAC2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-4-16(17,5-2)15(19)18-11(3)14-10-12-8-6-7-9-13(12)20-14/h6-11H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyKFUBQHBHZONJNX-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.13
Rot. Bonds5

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

2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide (PubChem CID 79809165) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound Name2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
PubChem CID79809165
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide
SMILESCCC(N)(CC)C(=O)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-4-16(17,5-2)15(19)18-11(3)14-10-12-8-6-7-9-13(12)20-14/h6-11H,4-5,17H2,1-3H3,(H,18,19)
InChIKeyKFUBQHBHZONJNX-UHFFFAOYSA-N
XLogP3.13
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
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
2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoylamino]propanediamide
CID 94056544
3-amino-N-[1-(1-benzofuran-2-yl)ethyl]butanamide
CID 60836169
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 107568604
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
N-[1-(1-benzofuran-2-yl)ethyl]pentanamide
CID 78811344
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
N-[1-(1-benzofuran-2-yl)ethyl]-4-ethylthiadiazole-5-carboxamide
CID 46523449
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-methylsulfonylacetamide
CID 95134527
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]cyclobutanecarboxamide
CID 9366149

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide?
The IUPAC name of 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide (CID 79809165) is 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide.
What is the SMILES notation for 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide?
The canonical SMILES for 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide is CCC(N)(CC)C(=O)NC(C)c1cc2ccccc2o1.
What is the InChIKey of 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide?
The InChIKey is KFUBQHBHZONJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-16(17,5-2)15(19)18-11(3)14-10-12-8-6-7-9-13(12)20-14/h6-11H,4-5,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide?
2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 3.13, 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-(1-benzofuran-2-yl)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 79809165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).