[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate

C23H23NO5 — CID 135265473

IUPAC[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate
SMILESCC/C=C(\C)C(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C23H23NO5/c1-5-8-15(2)23(26)29-21-13-16(11-12-20(21)27-4)24(3)18-14-22(25)28-19-10-7-6-9-17(18)19/h6-14H,5H2,1-4H3/b15-8+
InChIKeyCGZNRGNEBASMJT-OVCLIPMQSA-N
MW393.44 g/mol
LogP4.83
Rot. Bonds6

About [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate (PubChem CID 135265473) has the molecular formula C23H23NO5 and a molecular weight of 393.44 g/mol. Its IUPAC name is [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate.

Molecular Properties

Compound Name[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate
PubChem CID135265473
Molecular FormulaC23H23NO5
Molecular Weight393.44 g/mol
Exact Mass393.16
IUPAC Name[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate
SMILESCC/C=C(\C)C(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C23H23NO5/c1-5-8-15(2)23(26)29-21-13-16(11-12-20(21)27-4)24(3)18-14-22(25)28-19-10-7-6-9-17(18)19/h6-14H,5H2,1-4H3/b15-8+
InChIKeyCGZNRGNEBASMJT-OVCLIPMQSA-N
XLogP4.83
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-7-diethylaminocoumarin
CID 7050
Damc
CID 6867
7-Diethylaminocoumarin
CID 88598
2H-1-Benzopyran-2-one, 3-acetyl-7-(diethylamino)-
CID 688763
2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester
CID 120014
3-Carboxamido coumarin, 30
CID 797192
7-(N-benzyl-N-methylamino)-2-oxo-2H-chromene-3-carboxylic acid
CID 72696735
4-[(4-Methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one
CID 134163558
4-(4-Methoxyanilino)chromen-2-one
CID 804466
(E)-3-[4-[2-[4-[bis(carboxymethyl)amino]-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 23656212
(E)-3-[4-[2-[4-(dimethylamino)-2-methoxyphenoxy]ethoxy]-3-methoxyphenyl]prop-2-enoic acid
CID 44441043
4-{[(4-Ethoxy-phenyl)-methyl-amino]-methyl}-6-methoxy-chromen-2-one
CID 6485176

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate?
The IUPAC name of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate (CID 135265473) is [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate.
What is the SMILES notation for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate?
The canonical SMILES for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate is CC/C=C(\C)C(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.
What is the InChIKey of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate?
The InChIKey is CGZNRGNEBASMJT-OVCLIPMQSA-N. The full InChI is InChI=1S/C23H23NO5/c1-5-8-15(2)23(26)29-21-13-16(11-12-20(21)27-4)24(3)18-14-22(25)28-19-10-7-6-9-17(18)19/h6-14H,5H2,1-4H3/b15-8+.
What are the key properties of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate?
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate has a molecular weight of 393.44 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] (E)-2-methylpent-2-enoate is sourced from PubChem (CID 135265473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).