N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide

C22H24N2O5 — CID 71508315

IUPACN-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
SMILESCOc1cc2cc(C(=O)NCCN(C)Cc3ccccc3)c(=O)oc2cc1OC
InChIInChI=1S/C22H24N2O5/c1-24(14-15-7-5-4-6-8-15)10-9-23-21(25)17-11-16-12-19(27-2)20(28-3)13-18(16)29-22(17)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,25)
InChIKeyBWVRJRITHBXUPV-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.67
Rot. Bonds8

About N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide (PubChem CID 71508315) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
PubChem CID71508315
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide
SMILESCOc1cc2cc(C(=O)NCCN(C)Cc3ccccc3)c(=O)oc2cc1OC
InChIInChI=1S/C22H24N2O5/c1-24(14-15-7-5-4-6-8-15)10-9-23-21(25)17-11-16-12-19(27-2)20(28-3)13-18(16)29-22(17)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,25)
InChIKeyBWVRJRITHBXUPV-UHFFFAOYSA-N
XLogP2.67
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[benzyl(methyl)amino]-6-methoxy-2-oxochromene-3-carboxylic acid
CID 121297951
N-[3-[benzyl(methyl)amino]propyl]-2-methoxybenzamide
CID 18118649
7-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-6-methoxy-2-oxochromene-3-carboxamide
CID 118708727
N-[2-[benzyl(methyl)amino]ethyl]-2-(2-methoxyanilino)quinoline-4-carboxamide
CID 20854638
7-hydroxy-6-methoxy-2-oxo-N-phenylchromene-3-carboxamide
CID 156695952
N-[2-(4-fluorophenyl)ethyl]-8-methoxy-2-oxochromene-3-carboxamide
CID 26795926
N-[3-(dimethylamino)-3-oxopropyl]-2-oxochromene-3-carboxamide
CID 91954791
3-[3-[benzyl(methyl)amino]propoxy]chromen-2-one
CID 71508422
6,7-dimethoxy-2-oxo-N-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptyl]chromene-3-carboxamide
CID 118712172
6,7-dimethoxy-2-oxo-N-[5-(1,2,3,4-tetrahydroacridin-9-ylamino)pentyl]chromene-3-carboxamide
CID 118711809
N',N'-dibenzyl-2-oxochromene-3-carbohydrazide
CID 9293863
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-2-oxochromene-3-carboxamide
CID 1259055

Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide (CID 71508315) is N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide is COc1cc2cc(C(=O)NCCN(C)Cc3ccccc3)c(=O)oc2cc1OC.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide?
The InChIKey is BWVRJRITHBXUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-24(14-15-7-5-4-6-8-15)10-9-23-21(25)17-11-16-12-19(27-2)20(28-3)13-18(16)29-22(17)26/h4-8,11-13H,9-10,14H2,1-3H3,(H,23,25).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-6,7-dimethoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 71508315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).