N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide

C20H20N2O3 — CID 9117714

IUPACN-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1coc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-22(2)17(14-8-4-3-5-9-14)12-21-20(24)16-13-25-18-11-7-6-10-15(18)19(16)23/h3-11,13,17H,12H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyJLZLMWRCAYNLCV-QGZVFWFLSA-N
MW336.39 g/mol
LogP2.83
Rot. Bonds5

About N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide

N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide (PubChem CID 9117714) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
PubChem CID9117714
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC NameN-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide
SMILESCN(C)[C@H](CNC(=O)c1coc2ccccc2c1=O)c1ccccc1
InChIInChI=1S/C20H20N2O3/c1-22(2)17(14-8-4-3-5-9-14)12-21-20(24)16-13-25-18-11-7-6-10-15(18)19(16)23/h3-11,13,17H,12H2,1-2H3,(H,21,24)/t17-/m1/s1
InChIKeyJLZLMWRCAYNLCV-QGZVFWFLSA-N
XLogP2.83
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-benzofuran-3-carbonylamino)-4-methylpentanoic acid
CID 82683747
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N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-oxo-1H-quinoline-4-carboxamide
CID 27230253
N-[(2S)-2-methyl-3-(methylamino)propyl]-1-benzofuran-3-carboxamide
CID 99646947
N-[2-(dimethylamino)-2-phenylethyl]benzamide;hydrochloride
CID 20994991
N-[2-(dimethylamino)-2-phenylethyl]-2-phenylbenzamide
CID 17461099
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-(2-chloropentyl)-1-benzofuran-3-carboxamide
CID 113496475
N-[(2-methoxyphenyl)methyl]-4-oxochromene-3-carboxamide
CID 9208576
N-(3,3,3-trifluoro-2-hydroxypropyl)-1-benzofuran-3-carboxamide
CID 103726467
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3,5-difluorobenzamide
CID 7897282

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide (CID 9117714) is N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide is CN(C)[C@H](CNC(=O)c1coc2ccccc2c1=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide?
The InChIKey is JLZLMWRCAYNLCV-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-22(2)17(14-8-4-3-5-9-14)12-21-20(24)16-13-25-18-11-7-6-10-15(18)19(16)23/h3-11,13,17H,12H2,1-2H3,(H,21,24)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide?
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide has a molecular weight of 336.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-phenylethyl]-4-oxochromene-3-carboxamide is sourced from PubChem (CID 9117714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).