2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide

C24H28N2O3 — CID 164804552

IUPAC2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide
SMILESCCN(CC)c1ccc2c(C)c(CC(=O)NCCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H28N2O3/c1-4-26(5-2)19-11-12-20-17(3)21(24(28)29-22(20)15-19)16-23(27)25-14-13-18-9-7-6-8-10-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,27)
InChIKeyGODBXQRCGSPJMC-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.85
Rot. Bonds8

About 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide

2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide (PubChem CID 164804552) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide
PubChem CID164804552
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide
SMILESCCN(CC)c1ccc2c(C)c(CC(=O)NCCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H28N2O3/c1-4-26(5-2)19-11-12-20-17(3)21(24(28)29-22(20)15-19)16-23(27)25-14-13-18-9-7-6-8-10-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,27)
InChIKeyGODBXQRCGSPJMC-UHFFFAOYSA-N
XLogP3.85
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.85
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

4-Methyl-7-diethylaminocoumarin
CID 7050
Damc
CID 6867
N-(4-(7-diethylamino-4-methylcoumarin-3-yl)phenyl)maleimide
CID 122042
7-Diethylaminocoumarin
CID 88598
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724184
N-(4-ethylphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724200
2H-1-Benzopyran-2-one, 7-(ethylamino)-4-methyl-
CID 120061
(S)-6-acetamido-2-(2-((S)-2-acetamido-4-methylpentanamido)acetamido)-N-(4-methyl-2-oxo-2H-chromen-7-yl)hexanamide
CID 10460379
AAE-M-PBP-amine
CID 24763223
4-[(4-methyl-2-oxo-2H-chromen-7-yl)amino]-4-oxobutanoic acid
CID 2813385

Frequently Asked Questions

What is the IUPAC name of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide (CID 164804552) is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide is CCN(CC)c1ccc2c(C)c(CC(=O)NCCc3ccccc3)c(=O)oc2c1.
What is the InChIKey of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is GODBXQRCGSPJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-26(5-2)19-11-12-20-17(3)21(24(28)29-22(20)15-19)16-23(27)25-14-13-18-9-7-6-8-10-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,27).
What are the key properties of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide?
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 392.50 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 164804552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).