N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide

C21H19NO4 — CID 95379433

IUPACN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@](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)/t21-/m1/s1
InChIKeyLQORYDSBZQRGEX-OAQYLSRUSA-N
MW349.39 g/mol
LogP2.82
Rot. Bonds5

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

N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide (PubChem CID 95379433) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide
PubChem CID95379433
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC NameN-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide
SMILESO=C(NC[C@@](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)/t21-/m1/s1
InChIKeyLQORYDSBZQRGEX-OAQYLSRUSA-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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Related Compounds

N-(2-cyclopropyl-2-hydroxy-2-phenylethyl)-4-oxochromene-2-carboxamide
CID 71788780
N-(2-cyclopropyl-2-hydroxypropyl)-4-oxochromene-2-carboxamide
CID 90499300
N-(2-hydroxy-2-methylpentyl)-4-oxochromene-2-carboxamide
CID 103713082
N-[(4,4-difluorocyclohexyl)methyl]-4-oxochromene-2-carboxamide
CID 139328053
1-[[(4-oxochromene-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449223
2-methyl-3-[(4-oxochromene-2-carbonyl)amino]propanoic acid
CID 62675118
N-(2-aminoethyl)-4-oxochromene-2-carboxamide
CID 54880765
N'-(cyclopropanecarbonyl)-4-oxochromene-2-carbohydrazide
CID 47102362
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
N-[[4-(dimethylamino)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 17469485
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 52907053
4-oxo-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]chromene-2-carboxamide
CID 104955209

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide (CID 95379433) is N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide is O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is LQORYDSBZQRGEX-OAQYLSRUSA-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)/t21-/m1/s1.
What are the key properties of N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide?
N-[(2S)-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-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 95379433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).