N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide

C21H19NO4 — CID 71788780

IUPACN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H19NO4/c23-17-12-19(26-18-9-5-4-8-16(17)18)20(24)22-13-21(25,15-10-11-15)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H,22,24)
InChIKeyLQORYDSBZQRGEX-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.82
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide (PubChem CID 71788780) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
PubChem CID71788780
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
SMILESO=C(NCC(O)(c1ccccc1)C1CC1)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C21H19NO4/c23-17-12-19(26-18-9-5-4-8-16(17)18)20(24)22-13-21(25,15-10-11-15)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H,22,24)
InChIKeyLQORYDSBZQRGEX-UHFFFAOYSA-N
XLogP2.82
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide (CID 71788780) is N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide is O=C(NCC(O)(c1ccccc1)C1CC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide?
The InChIKey is LQORYDSBZQRGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c23-17-12-19(26-18-9-5-4-8-16(17)18)20(24)22-13-21(25,15-10-11-15)14-6-2-1-3-7-14/h1-9,12,15,25H,10-11,13H2,(H,22,24).
What are the key properties of N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide?
N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide is sourced from PubChem (CID 71788780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).