[2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium

C18H25N2O4+ — CID 8692632

IUPAC[2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C18H24N2O4/c1-5-20(6-2)17(21)12-19(3)11-13-9-18(22)24-16-10-14(23-4)7-8-15(13)16/h7-10H,5-6,11-12H2,1-4H3/p+1
InChIKeyZNILRKOUPJBJQA-UHFFFAOYSA-O
MW333.41 g/mol
LogP0.68
Rot. Bonds7

About [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium

[2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium (PubChem CID 8692632) has the molecular formula C18H25N2O4+ and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
PubChem CID8692632
Molecular FormulaC18H25N2O4+
Molecular Weight333.41 g/mol
Exact Mass333.18
IUPAC Name[2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
SMILESCCN(CC)C(=O)C[NH+](C)Cc1cc(=O)oc2cc(OC)ccc12
InChIInChI=1S/C18H24N2O4/c1-5-20(6-2)17(21)12-19(3)11-13-9-18(22)24-16-10-14(23-4)7-8-15(13)16/h7-10H,5-6,11-12H2,1-4H3/p+1
InChIKeyZNILRKOUPJBJQA-UHFFFAOYSA-O
XLogP0.68
TPSA64.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-ethoxyphenyl)methyl-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
CID 8024114
[2-(diethylamino)-2-oxoethyl]-methyl-[(7-methyl-2-oxo-6-propan-2-ylchromen-4-yl)methyl]azanium
CID 8692662
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium
CID 9223088
N-ethyl-2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]acetamide
CID 9433203
2-[ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]amino]-N-propan-2-ylacetamide
CID 8906572
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
N-[4-(diethylamino)butyl]-2-(7-methoxy-2-oxochromen-4-yl)acetamide;hydrochloride
CID 134111790
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium (CID 8692632) is [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium is CCN(CC)C(=O)C[NH+](C)Cc1cc(=O)oc2cc(OC)ccc12.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium?
The InChIKey is ZNILRKOUPJBJQA-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H24N2O4/c1-5-20(6-2)17(21)12-19(3)11-13-9-18(22)24-16-10-14(23-4)7-8-15(13)16/h7-10H,5-6,11-12H2,1-4H3/p+1.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium?
[2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium has a molecular weight of 333.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-[(7-methoxy-2-oxochromen-4-yl)methyl]-methylazanium is sourced from PubChem (CID 8692632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).