N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

C17H25ClN2O3 — CID 119605897

IUPACN-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)NC(C)(CN)C(C)C)=C2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-11(2)17(3,10-18)19-16(20)13-8-12-6-5-7-14(21-4)15(12)22-9-13;/h5-8,11H,9-10,18H2,1-4H3,(H,19,20);1H
InChIKeyONWQRRCIPXXQOZ-UHFFFAOYSA-N
MW340.85 g/mol
LogP2.38
Rot. Bonds5

About N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride

N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (PubChem CID 119605897) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
PubChem CID119605897
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC NameN-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride
SMILESCOc1cccc2c1OCC(C(=O)NC(C)(CN)C(C)C)=C2.Cl
InChIInChI=1S/C17H24N2O3.ClH/c1-11(2)17(3,10-18)19-16(20)13-8-12-6-5-7-14(21-4)15(12)22-9-13;/h5-8,11H,9-10,18H2,1-4H3,(H,19,20);1H
InChIKeyONWQRRCIPXXQOZ-UHFFFAOYSA-N
XLogP2.38
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119565259
8-methoxy-2H-chromene-3-carboxylate
CID 6933959
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benzyl 8-methoxy-2H-chromene-3-carboxylate
CID 1475910
1-[(8-methoxy-2H-chromene-3-carbonyl)amino]cyclohexane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride (CID 119605897) is N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is COc1cccc2c1OCC(C(=O)NC(C)(CN)C(C)C)=C2.Cl.
What is the InChIKey of N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
The InChIKey is ONWQRRCIPXXQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3.ClH/c1-11(2)17(3,10-18)19-16(20)13-8-12-6-5-7-14(21-4)15(12)22-9-13;/h5-8,11H,9-10,18H2,1-4H3,(H,19,20);1H.
What are the key properties of N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride?
N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride has a molecular weight of 340.85 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2,3-dimethylbutan-2-yl)-8-methoxy-2H-chromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119605897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).