N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide

C15H16N2O3 — CID 66182545

IUPACN-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)C1CNC1
InChIInChI=1S/C15H16N2O3/c1-2-17(11-8-16-9-11)14(18)12-7-10-5-3-4-6-13(10)20-15(12)19/h3-7,11,16H,2,8-9H2,1H3
InChIKeyFGRXAOYQHMPBHC-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.23
Rot. Bonds3

About N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide

N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide (PubChem CID 66182545) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
PubChem CID66182545
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide
SMILESCCN(C(=O)c1cc2ccccc2oc1=O)C1CNC1
InChIInChI=1S/C15H16N2O3/c1-2-17(11-8-16-9-11)14(18)12-7-10-5-3-4-6-13(10)20-15(12)19/h3-7,11,16H,2,8-9H2,1H3
InChIKeyFGRXAOYQHMPBHC-UHFFFAOYSA-N
XLogP1.23
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
N-(azetidin-3-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 66185459
N-methyl-2-oxo-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 63298023
N-cyclopropyl-N-[(4-ethylphenyl)methyl]-2-oxochromene-3-carboxamide
CID 86925520
N-methyl-2-oxo-N-piperidin-4-ylchromene-3-carboxamide
CID 43602148
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-oxochromene-3-carboxamide
CID 3221339
N-ethyl-N-(4-fluorophenyl)-2-oxochromene-3-carboxamide
CID 51198607
N-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 6457032
N-(1-hydroxypropan-2-yl)-N-methyl-2-oxochromene-3-carboxamide
CID 109388309
N-(azetidin-3-yl)-2-chloro-N-ethylbenzamide
CID 66182738
3-[ethyl-(2-oxochromene-3-carbonyl)amino]propanoic acid
CID 61008302
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide (CID 66182545) is N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide is CCN(C(=O)c1cc2ccccc2oc1=O)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide?
The InChIKey is FGRXAOYQHMPBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-2-17(11-8-16-9-11)14(18)12-7-10-5-3-4-6-13(10)20-15(12)19/h3-7,11,16H,2,8-9H2,1H3.
What are the key properties of N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide?
N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-N-ethyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 66182545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).