2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide

C17H24N2O2 — CID 115574060

IUPAC2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
SMILESCC(NC(C)c1cc2ccccc2o1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(18-12(2)16(20)19-17(3,4)5)15-10-13-8-6-7-9-14(13)21-15/h6-12,18H,1-5H3,(H,19,20)
InChIKeyZGVAFWRAIXDPKH-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.39
Rot. Bonds4

About 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide

2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide (PubChem CID 115574060) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
PubChem CID115574060
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide
SMILESCC(NC(C)c1cc2ccccc2o1)C(=O)NC(C)(C)C
InChIInChI=1S/C17H24N2O2/c1-11(18-12(2)16(20)19-17(3,4)5)15-10-13-8-6-7-9-14(13)21-15/h6-12,18H,1-5H3,(H,19,20)
InChIKeyZGVAFWRAIXDPKH-UHFFFAOYSA-N
XLogP3.39
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-[1-(3-chlorophenyl)ethylamino]propanamide
CID 112810932
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamate
CID 16663836
methyl 2-[1-(1-benzofuran-2-yl)ethylamino]-2-methylpropanoate
CID 43725995
2-[1-(1-benzofuran-2-yl)ethylamino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 112798738
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]acetamide
CID 8768753
N-tert-butyl-2-[[(1R)-1-(furan-2-yl)ethyl]amino]propanamide
CID 81401281
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
2-[1-(1-benzothiophen-2-yl)ethylamino]-N-tert-butylpropanamide
CID 104579257
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]acetamide
CID 9131416
N-[1-(1-benzofuran-2-yl)ethyl]-2-(3,5-dimethylanilino)propanamide
CID 112811052
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]acetamide
CID 8794351
N-tert-butyl-1-benzofuran-2-carboxamide
CID 737735

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide?
The IUPAC name of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide (CID 115574060) is 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide is CC(NC(C)c1cc2ccccc2o1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide?
The InChIKey is ZGVAFWRAIXDPKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(18-12(2)16(20)19-17(3,4)5)15-10-13-8-6-7-9-14(13)21-15/h6-12,18H,1-5H3,(H,19,20).
What are the key properties of 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide?
2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide has a molecular weight of 288.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-benzofuran-2-yl)ethylamino]-N-tert-butylpropanamide is sourced from PubChem (CID 115574060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).