N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide

C17H24N2O2 — CID 119587111

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
SMILESCC(C)CC(CN)NC(=O)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-11(2)8-14(10-18)19-17(20)12(3)16-9-13-6-4-5-7-15(13)21-16/h4-7,9,11-12,14H,8,10,18H2,1-3H3,(H,19,20)
InChIKeyXFGSFYBYMPOTIZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.03
Rot. Bonds6

About N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide

N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide (PubChem CID 119587111) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
PubChem CID119587111
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
SMILESCC(C)CC(CN)NC(=O)C(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O2/c1-11(2)8-14(10-18)19-17(20)12(3)16-9-13-6-4-5-7-15(13)21-16/h4-7,9,11-12,14H,8,10,18H2,1-3H3,(H,19,20)
InChIKeyXFGSFYBYMPOTIZ-UHFFFAOYSA-N
XLogP3.03
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-1-benzofuran-2-carboxamide;hydrochloride
CID 119585558
N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride
CID 119586750
(E)-2-[2-(1-benzofuran-2-yl)propanoylamino]hex-4-enoic acid
CID 120693745
3-amino-4-[1-(1-benzofuran-2-yl)ethylamino]-4-oxobutanoic acid
CID 64894336
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
1-[1-(1-benzofuran-2-yl)ethyl]-3-(2-hydroxy-4-methylpentyl)urea
CID 110910012
1-(1-benzofuran-2-yl)-3,5-dimethylhexan-1-one
CID 114200671
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]propanamide;hydrochloride
CID 119272375
2-[(1R)-3-methyl-1-phenylbutyl]-1-benzofuran
CID 134949472
5-[[2-(1-benzofuran-2-yl)propanoylamino]methyl]-2-methylfuran-3-carboxylic acid
CID 75472197
N-(1-amino-4-methylpentan-2-yl)quinoline-2-carboxamide
CID 63754723
tert-butyl N-[(1S)-1-(1-benzofuran-2-yl)-3-methylbutyl]carbamate
CID 16663835

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide (CID 119587111) is N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide is CC(C)CC(CN)NC(=O)C(C)c1cc2ccccc2o1.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide?
The InChIKey is XFGSFYBYMPOTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)8-14(10-18)19-17(20)12(3)16-9-13-6-4-5-7-15(13)21-16/h4-7,9,11-12,14H,8,10,18H2,1-3H3,(H,19,20).
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide?
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide has a molecular weight of 288.39 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide is sourced from PubChem (CID 119587111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).