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

C17H20N2O3 — CID 119477940

IUPACN-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)NC2CCC(N)CC2)c(=O)oc2ccccc12
InChIInChI=1S/C17H20N2O3/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)
InChIKeyUJPGXUGNKOYOIR-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.10
Rot. Bonds2

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

N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide (PubChem CID 119477940) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
PubChem CID119477940
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
SMILESCc1c(C(=O)NC2CCC(N)CC2)c(=O)oc2ccccc12
InChIInChI=1S/C17H20N2O3/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)
InChIKeyUJPGXUGNKOYOIR-UHFFFAOYSA-N
XLogP2.10
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.10
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

N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119477939
3-(4-aminopiperidine-1-carbonyl)-4-methylchromen-2-one;hydrochloride
CID 119375931
N-(2-amino-1-cyclopropylethyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119616565
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
CID 79112826
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544
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?
The IUPAC name of N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide (CID 119477940) is N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide is Cc1c(C(=O)NC2CCC(N)CC2)c(=O)oc2ccccc12.
What is the InChIKey of N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide?
The InChIKey is UJPGXUGNKOYOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/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).
What are the key properties of N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide?
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.10, 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 is sourced from PubChem (CID 119477940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).