N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride

C16H21ClN2O3 — CID 119586750

IUPACN-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc2ccccc2oc1=O.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-10(2)7-12(9-17)18-15(19)13-8-11-5-3-4-6-14(11)21-16(13)20;/h3-6,8,10,12H,7,9,17H2,1-2H3,(H,18,19);1H
InChIKeySTBSUEGZNULPNF-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.32
Rot. Bonds5

About N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride (PubChem CID 119586750) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride
PubChem CID119586750
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)c1cc2ccccc2oc1=O.Cl
InChIInChI=1S/C16H20N2O3.ClH/c1-10(2)7-12(9-17)18-15(19)13-8-11-5-3-4-6-14(11)21-16(13)20;/h3-6,8,10,12H,7,9,17H2,1-2H3,(H,18,19);1H
InChIKeySTBSUEGZNULPNF-UHFFFAOYSA-N
XLogP2.32
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.32
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 119585558
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CID 119363439
N-(1-amino-4-methylpentan-2-yl)-2-(1-benzofuran-2-yl)propanamide
CID 119587111
N-(1-hydroxy-3-methylbutan-2-yl)-2-oxochromene-3-carboxamide
CID 79255030
2-oxo-N-pent-4-yn-2-ylchromene-3-carboxamide
CID 115661722
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
2-[(2-oxochromene-3-carbonyl)amino]butanoic acid
CID 43469616
2-oxo-N-[(1R)-1-phenylpropyl]chromene-3-carboxamide
CID 40635761
N-[1-(4-hydroxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 4917419
N-[1-(4-ethylphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 17326877
2-oxo-N-(1-pyridin-4-ylethyl)chromene-3-carboxamide
CID 2970214
[2-oxo-3-(propan-2-ylcarbamoyl)chromen-7-yl] 2-oxochromene-3-carboxylate
CID 19186639

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride (CID 119586750) is N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride is CC(C)CC(CN)NC(=O)c1cc2ccccc2oc1=O.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride?
The InChIKey is STBSUEGZNULPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3.ClH/c1-10(2)7-12(9-17)18-15(19)13-8-11-5-3-4-6-14(11)21-16(13)20;/h3-6,8,10,12H,7,9,17H2,1-2H3,(H,18,19);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride has a molecular weight of 324.81 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-oxochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119586750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).