2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate

C24H28N2O4 — CID 164617990

IUPAC2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate
SMILESCCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H28N2O4/c1-4-26(5-2)19-11-12-20-17(3)21(23(27)30-22(20)15-19)13-14-29-24(28)25-16-18-9-7-6-8-10-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,28)
InChIKeyAXQBNWVTRVBNDF-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.42
Rot. Bonds8

About 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate

2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate (PubChem CID 164617990) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate.

Molecular Properties

Compound Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate
PubChem CID164617990
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate
SMILESCCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3ccccc3)c(=O)oc2c1
InChIInChI=1S/C24H28N2O4/c1-4-26(5-2)19-11-12-20-17(3)21(23(27)30-22(20)15-19)13-14-29-24(28)25-16-18-9-7-6-8-10-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,28)
InChIKeyAXQBNWVTRVBNDF-UHFFFAOYSA-N
XLogP4.42
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
4-Methyl-7-(phenylacetamido)coumarin
CID 688125
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
CID 120014
2H-1-Benzopyran-2-one, 3,3'-carbonylbis[7-(diethylamino)-
CID 113160
N-(3-methoxyphenyl)-2-oxo-2H-chromene-3-carboxamide
CID 724184
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]ethyl N-benzylcarbamate?
The IUPAC name of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate (CID 164617990) is 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate.
What is the SMILES notation for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate?
The canonical SMILES for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate is CCN(CC)c1ccc2c(C)c(CCOC(=O)NCc3ccccc3)c(=O)oc2c1.
What is the InChIKey of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate?
The InChIKey is AXQBNWVTRVBNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-4-26(5-2)19-11-12-20-17(3)21(23(27)30-22(20)15-19)13-14-29-24(28)25-16-18-9-7-6-8-10-18/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate?
2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate has a molecular weight of 408.50 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(diethylamino)-4-methyl-2-oxochromen-3-yl]ethyl N-benzylcarbamate is sourced from PubChem (CID 164617990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).