4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide

C23H24N2O5 — CID 56511803

IUPAC4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C23H24N2O5/c1-4-25(14-16-5-7-18(8-6-16)23(28)24(2)3)21(26)15-29-19-11-9-17-10-12-22(27)30-20(17)13-19/h5-13H,4,14-15H2,1-3H3
InChIKeyARPNVBNQZJWEIO-UHFFFAOYSA-N
MW408.45 g/mol
LogP2.92
Rot. Bonds7

About 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide

4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide (PubChem CID 56511803) has the molecular formula C23H24N2O5 and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
PubChem CID56511803
Molecular FormulaC23H24N2O5
Molecular Weight408.45 g/mol
Exact Mass408.17
IUPAC Name4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
SMILESCCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C23H24N2O5/c1-4-25(14-16-5-7-18(8-6-16)23(28)24(2)3)21(26)15-29-19-11-9-17-10-12-22(27)30-20(17)13-19/h5-13H,4,14-15H2,1-3H3
InChIKeyARPNVBNQZJWEIO-UHFFFAOYSA-N
XLogP2.92
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-4-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]benzamide
CID 7565046
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 16504643
N,N-dimethyl-3-[[[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]benzamide
CID 46401405
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 119655442
ethyl 2-(2-oxochromen-7-yl)oxyacetate;hydrochloride
CID 88715232
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
N-ethyl-N-naphthalen-1-yl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705109
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
2-(2-oxochromen-7-yl)oxy-N-(2-thiophen-2-ylethyl)-N-(thiophen-2-ylmethyl)acetamide
CID 33122488
4-[(2-oxochromen-7-yl)oxymethoxy]benzoic acid
CID 59211340
7-(2-naphthalen-2-yl-2-oxoethoxy)chromen-2-one
CID 2292760
7-[2-oxo-2-(4-propan-2-ylphenyl)ethoxy]chromen-2-one
CID 7565097

Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide (CID 56511803) is 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide is CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide?
The InChIKey is ARPNVBNQZJWEIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5/c1-4-25(14-16-5-7-18(8-6-16)23(28)24(2)3)21(26)15-29-19-11-9-17-10-12-22(27)30-20(17)13-19/h5-13H,4,14-15H2,1-3H3.
What are the key properties of 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide?
4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide has a molecular weight of 408.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 56511803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).