N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide

C17H22N2O3 — CID 167146208

IUPACN-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide
SMILESCCN(C)c1ccc2c(C)c(CCNC(C)=O)c(=O)oc2c1
InChIInChI=1S/C17H22N2O3/c1-5-19(4)13-6-7-14-11(2)15(8-9-18-12(3)20)17(21)22-16(14)10-13/h6-7,10H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyKLBHHKUXWYLJGU-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.24
Rot. Bonds5

About N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide

N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide (PubChem CID 167146208) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide
PubChem CID167146208
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide
SMILESCCN(C)c1ccc2c(C)c(CCNC(C)=O)c(=O)oc2c1
InChIInChI=1S/C17H22N2O3/c1-5-19(4)13-6-7-14-11(2)15(8-9-18-12(3)20)17(21)22-16(14)10-13/h6-7,10H,5,8-9H2,1-4H3,(H,18,20)
InChIKeyKLBHHKUXWYLJGU-UHFFFAOYSA-N
XLogP2.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.24
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

1-[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl]-3-methylurea
CID 155169454
2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl N-(pyrimidin-2-ylmethyl)carbamate
CID 164804466
3-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]-N-[3-[hydroxy(methyl)amino]propyl]propanamide
CID 167146206
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(2-phenylethyl)carbamate
CID 164804564
methyl 2-[3-[[2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethylcarbamoylamino]methyl]phenoxy]acetate
CID 155169603
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[[3-(dimethylcarbamoyl)phenyl]methyl]carbamate
CID 164804539
N-methyl-N-[4-methyl-3-(2-morpholin-4-ylethyl)-2-oxochromen-7-yl]carbamoyl chloride
CID 154212259
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-[(1-methylpiperidin-4-yl)methyl]carbamate
CID 155705107
7-(diethylamino)-3-[6-(2-fluorophenyl)-3-oxohexyl]-4-methylchromen-2-one
CID 165031308
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-(pyrazin-2-ylmethyl)carbamate
CID 164804483
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814

Frequently Asked Questions

What is the IUPAC name of N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide (CID 167146208) is N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide is CCN(C)c1ccc2c(C)c(CCNC(C)=O)c(=O)oc2c1.
What is the InChIKey of N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide?
The InChIKey is KLBHHKUXWYLJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-19(4)13-6-7-14-11(2)15(8-9-18-12(3)20)17(21)22-16(14)10-13/h6-7,10H,5,8-9H2,1-4H3,(H,18,20).
What are the key properties of N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide?
N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide has a molecular weight of 302.37 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-[ethyl(methyl)amino]-4-methyl-2-oxochromen-3-yl]ethyl]acetamide is sourced from PubChem (CID 167146208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).