N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide

C20H21NO5 — CID 1072484

IUPACN,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12
InChIInChI=1S/C20H21NO5/c1-4-21(5-2)19(22)12-25-14-7-9-16-15-8-6-13(24-3)10-17(15)20(23)26-18(16)11-14/h6-11H,4-5,12H2,1-3H3
InChIKeyAWPCPWKYCRJFOM-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.20
Rot. Bonds6

About N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide

N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide (PubChem CID 1072484) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
PubChem CID1072484
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC NameN,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
SMILESCCN(CC)C(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12
InChIInChI=1S/C20H21NO5/c1-4-21(5-2)19(22)12-25-14-7-9-16-15-8-6-13(24-3)10-17(15)20(23)26-18(16)11-14/h6-11H,4-5,12H2,1-3H3
InChIKeyAWPCPWKYCRJFOM-UHFFFAOYSA-N
XLogP3.20
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
2-(3,4-dimethyl-2-oxochromen-7-yl)oxy-N,N-diethylacetamide
CID 770841
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
methyl 2-[7-[2-(diethylamino)-2-oxoethoxy]-4-methyl-2-oxochromen-3-yl]acetate
CID 1297076
3-[4-(diethylamino)butoxy]-8-methoxybenzo[c]chromen-6-one
CID 169099666
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
CID 2938022
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 4914850
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)acetamide
CID 175862262
3-(2-methylprop-2-enoxy)benzo[c]chromen-6-one
CID 721848
3-chloro-8-methoxybenzo[c]chromen-6-one
CID 164598037

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The IUPAC name of N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide (CID 1072484) is N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide.
What is the SMILES notation for N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The canonical SMILES for N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide is CCN(CC)C(=O)COc1ccc2c(c1)oc(=O)c1cc(OC)ccc12.
What is the InChIKey of N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
The InChIKey is AWPCPWKYCRJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-4-21(5-2)19(22)12-25-14-7-9-16-15-8-6-13(24-3)10-17(15)20(23)26-18(16)11-14/h6-11H,4-5,12H2,1-3H3.
What are the key properties of N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide?
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide has a molecular weight of 355.39 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide is sourced from PubChem (CID 1072484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).