N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide

C16H18N2O3 — CID 66181389

IUPACN-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide
SMILESCCCN(C(=O)c1cc(=O)c2ccccc2o1)C1CNC1
InChIInChI=1S/C16H18N2O3/c1-2-7-18(11-9-17-10-11)16(20)15-8-13(19)12-5-3-4-6-14(12)21-15/h3-6,8,11,17H,2,7,9-10H2,1H3
InChIKeyWWBWBBGMOHAVIL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.62
Rot. Bonds4

About N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide

N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide (PubChem CID 66181389) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide
PubChem CID66181389
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide
SMILESCCCN(C(=O)c1cc(=O)c2ccccc2o1)C1CNC1
InChIInChI=1S/C16H18N2O3/c1-2-7-18(11-9-17-10-11)16(20)15-8-13(19)12-5-3-4-6-14(12)21-15/h3-6,8,11,17H,2,7,9-10H2,1H3
InChIKeyWWBWBBGMOHAVIL-UHFFFAOYSA-N
XLogP1.62
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[oxan-4-yl-(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 126779802
4-oxo-N,N-di(propan-2-yl)chromene-2-carboxamide
CID 15041163
N-cyclopropyl-4-oxo-N-piperidin-4-ylchromene-2-carboxamide
CID 167810912
N-(azetidin-3-yl)-7-bromo-N-propyl-1-benzofuran-2-carboxamide
CID 66213648
N-(azetidin-3-yl)-5-chloro-N-propylfuran-2-carboxamide
CID 66183740
N-(azetidin-3-yl)-N-propylnaphthalene-1-carboxamide
CID 66182458
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 33078382
2-oxo-N-propyl-N-pyrrolidin-3-ylchromene-3-carboxamide
CID 119531116
N-(2,2-dimethylundecyl)-N-octyl-4-oxochromene-2-carboxamide
CID 151190765
N-benzyl-N-methyl-4-oxochromene-2-carboxamide
CID 4056065
N-[(3S)-1,1-dioxothiolan-3-yl]-N-[(4-ethoxyphenyl)methyl]-4-oxochromene-2-carboxamide
CID 26818977
N-butyl-4-oxochromene-2-carboxamide
CID 11253603

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide (CID 66181389) is N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide is CCCN(C(=O)c1cc(=O)c2ccccc2o1)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide?
The InChIKey is WWBWBBGMOHAVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-7-18(11-9-17-10-11)16(20)15-8-13(19)12-5-3-4-6-14(12)21-15/h3-6,8,11,17H,2,7,9-10H2,1H3.
What are the key properties of N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide?
N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-oxo-N-propylchromene-2-carboxamide is sourced from PubChem (CID 66181389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).