(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide

C16H22N2O2 — CID 61164290

IUPAC(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-10(2)15(17)16(19)18(4)11(3)14-9-12-7-5-6-8-13(12)20-14/h5-11,15H,17H2,1-4H3/t11?,15-/m0/s1
InChIKeyHCJFKRNFOHTBPU-MHTVFEQDSA-N
MW274.36 g/mol
LogP2.94
Rot. Bonds4

About (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide

(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide (PubChem CID 61164290) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
PubChem CID61164290
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)C(C)c1cc2ccccc2o1
InChIInChI=1S/C16H22N2O2/c1-10(2)15(17)16(19)18(4)11(3)14-9-12-7-5-6-8-13(12)20-14/h5-11,15H,17H2,1-4H3/t11?,15-/m0/s1
InChIKeyHCJFKRNFOHTBPU-MHTVFEQDSA-N
XLogP2.94
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-3-chloro-N,2,2-trimethylpropanamide
CID 63681322
N-[1-(1-benzofuran-2-yl)ethyl]-N,4-dimethylbenzamide
CID 46551169
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylpyridine-4-carboxamide
CID 46551068
N-[1-(1-benzofuran-2-yl)ethyl]-4-chloro-N-methylbutanamide
CID 55204447
N-[1-(1-benzofuran-2-yl)ethyl]-5-bromo-N-methylfuran-2-carboxamide
CID 46551193
N-[1-[1-(1-benzofuran-2-yl)ethyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 46421801
2-[[2-[1-(1-benzofuran-2-yl)ethyl-methylamino]-2-oxoethyl]-propan-2-ylamino]acetamide
CID 60503344
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3,4-difluoro-N-methylbenzamide
CID 39976580
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-1H-indole-2-carboxamide
CID 39976177

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide (CID 61164290) is (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide is CC(C)[C@H](N)C(=O)N(C)C(C)c1cc2ccccc2o1.
What is the InChIKey of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide?
The InChIKey is HCJFKRNFOHTBPU-MHTVFEQDSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10(2)15(17)16(19)18(4)11(3)14-9-12-7-5-6-8-13(12)20-14/h5-11,15H,17H2,1-4H3/t11?,15-/m0/s1.
What are the key properties of (2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide?
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide has a molecular weight of 274.36 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 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]-N,3-dimethylbutanamide is sourced from PubChem (CID 61164290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).