N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride

C17H23ClN2O3 — CID 119642890

IUPACN-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1c(C)c2ccccc2oc1=O.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-4-17(18,5-2)10-19-15(20)14-11(3)12-8-6-7-9-13(12)22-16(14)21;/h6-9H,4-5,10,18H2,1-3H3,(H,19,20);1H
InChIKeyQZLBSTNAONSPGY-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.77
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride

N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (PubChem CID 119642890) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
PubChem CID119642890
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC NameN-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCCC(N)(CC)CNC(=O)c1c(C)c2ccccc2oc1=O.Cl
InChIInChI=1S/C17H22N2O3.ClH/c1-4-17(18,5-2)10-19-15(20)14-11(3)12-8-6-7-9-13(12)22-16(14)21;/h6-9H,4-5,10,18H2,1-3H3,(H,19,20);1H
InChIKeyQZLBSTNAONSPGY-UHFFFAOYSA-N
XLogP2.77
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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CID 111840756
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CID 119513544
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 91644124
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119477939
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119477940
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
N-[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]-4-methyl-2-oxochromene-3-carboxamide
CID 97003092
N-(6-tert-butylpyridazin-3-yl)-4-methyl-2-oxochromene-3-carboxamide
CID 71972513
N-(2-amino-2-ethylbutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 119643507
N-(2-amino-2-ethylbutyl)-3,4,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119643855
4-methyl-2-oxo-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]chromene-3-carboxamide
CID 91947735
N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (CID 119642890) is N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is CCC(N)(CC)CNC(=O)c1c(C)c2ccccc2oc1=O.Cl.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The InChIKey is QZLBSTNAONSPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3.ClH/c1-4-17(18,5-2)10-19-15(20)14-11(3)12-8-6-7-9-13(12)22-16(14)21;/h6-9H,4-5,10,18H2,1-3H3,(H,19,20);1H.
What are the key properties of N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119642890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).