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

C16H18N2O3 — CID 79112826

IUPACN-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
SMILESNC1CCC(NC(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C16H18N2O3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-4,9,11-12H,5-8,17H2,(H,18,19)
InChIKeyXNCCSBGOXBFMIA-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.79
Rot. Bonds2

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

N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide (PubChem CID 79112826) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
PubChem CID79112826
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide
SMILESNC1CCC(NC(=O)c2cc3ccccc3oc2=O)CC1
InChIInChI=1S/C16H18N2O3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-4,9,11-12H,5-8,17H2,(H,18,19)
InChIKeyXNCCSBGOXBFMIA-UHFFFAOYSA-N
XLogP1.79
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.79
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

2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43345783
N-cyclopropyl-7-fluoro-2-oxochromene-3-carboxamide
CID 110486348
N-(2-hydroxycyclohexyl)-2-oxochromene-3-carboxamide
CID 62365593
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-oxochromene-3-carboxamide
CID 18121067
N-(4-aminocyclohexyl)-2-(1-benzofuran-2-yl)propanamide
CID 119476753
2-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)chromene-3-carboxamide
CID 16822106
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide
CID 119477940
2-oxo-N-(1-pyridin-2-ylpyrrolidin-3-yl)chromene-3-carboxamide
CID 90621231
2-oxo-N-[1-(2-phenylethyl)piperidin-3-yl]chromene-3-carboxamide
CID 45195643
N-(4-aminocyclohexyl)-4-methyl-2-oxochromene-3-carboxamide;hydrochloride
CID 119477939
N-[2-(1,1-dioxothian-4-yl)ethyl]-2-oxochromene-3-carboxamide
CID 171914896

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide (CID 79112826) is N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide is NC1CCC(NC(=O)c2cc3ccccc3oc2=O)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide?
The InChIKey is XNCCSBGOXBFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c17-11-5-7-12(8-6-11)18-15(19)13-9-10-3-1-2-4-14(10)21-16(13)20/h1-4,9,11-12H,5-8,17H2,(H,18,19).
What are the key properties of N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide?
N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-2-oxochromene-3-carboxamide is sourced from PubChem (CID 79112826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).