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

C17H21ClN2O3 — CID 119477939

IUPACN-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCC(N)CC2)c(=O)oc2ccccc12.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-10-13-4-2-3-5-14(13)22-17(21)15(10)16(20)19-12-8-6-11(18)7-9-12;/h2-5,11-12H,6-9,18H2,1H3,(H,19,20);1H
InChIKeyKWGSBYWLZIWTDQ-UHFFFAOYSA-N
MW336.82 g/mol
LogP2.52
Rot. Bonds2

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

N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (PubChem CID 119477939) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
PubChem CID119477939
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC NameN-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
SMILESCc1c(C(=O)NC2CCC(N)CC2)c(=O)oc2ccccc12.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-10-13-4-2-3-5-14(13)22-17(21)15(10)16(20)19-12-8-6-11(18)7-9-12;/h2-5,11-12H,6-9,18H2,1H3,(H,19,20);1H
InChIKeyKWGSBYWLZIWTDQ-UHFFFAOYSA-N
XLogP2.52
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119477940
3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride
CID 119375931
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
N-(3-hydroxybutyl)-4-methyl-2-oxochromene-3-carboxamide
CID 111840756
4-methyl-3-[3-(methylaminomethyl)piperidine-1-carbonyl]chromen-2-one
CID 119397937
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 91644124
N-cyclopropyl-1-methyl-4-oxochromeno[4,3-b]pyrrole-2-carboxamide
CID 53004577
N-(4-aminocyclohexyl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 119475221
N-(4-aminocyclohexyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 119476472
N-(4-aminocyclohexyl)-2-methylbenzamide
CID 43653114

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride (CID 119477939) is N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is Cc1c(C(=O)NC2CCC(N)CC2)c(=O)oc2ccccc12.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
The InChIKey is KWGSBYWLZIWTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.ClH/c1-10-13-4-2-3-5-14(13)22-17(21)15(10)16(20)19-12-8-6-11(18)7-9-12;/h2-5,11-12H,6-9,18H2,1H3,(H,19,20);1H.
What are the key properties of N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride?
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride is sourced from PubChem (CID 119477939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).