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

C22H21NO5 — CID 135265436

IUPAC[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate
SMILESC=CCCC(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C22H21NO5/c1-4-5-10-21(24)28-20-13-15(11-12-19(20)26-3)23(2)17-14-22(25)27-18-9-7-6-8-16(17)18/h4,6-9,11-14H,1,5,10H2,2-3H3
InChIKeyCWUYHJXBKUJXGB-UHFFFAOYSA-N
MW379.41 g/mol
LogP4.44
Rot. Bonds7

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

[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate (PubChem CID 135265436) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate.

Molecular Properties

Compound Name[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate
PubChem CID135265436
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate
SMILESC=CCCC(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC
InChIInChI=1S/C22H21NO5/c1-4-5-10-21(24)28-20-13-15(11-12-19(20)26-3)23(2)17-14-22(25)27-18-9-7-6-8-16(17)18/h4,6-9,11-14H,1,5,10H2,2-3H3
InChIKeyCWUYHJXBKUJXGB-UHFFFAOYSA-N
XLogP4.44
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate 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-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
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
(7-Methyl-2-oxochromen-4-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 4856539
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] pent-4-enoate?
The IUPAC name of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate (CID 135265436) is [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate.
What is the SMILES notation for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate?
The canonical SMILES for [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate is C=CCCC(=O)Oc1cc(N(C)c2cc(=O)oc3ccccc23)ccc1OC.
What is the InChIKey of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate?
The InChIKey is CWUYHJXBKUJXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-4-5-10-21(24)28-20-13-15(11-12-19(20)26-3)23(2)17-14-22(25)27-18-9-7-6-8-16(17)18/h4,6-9,11-14H,1,5,10H2,2-3H3.
What are the key properties of [2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate?
[2-methoxy-5-[methyl-(2-oxochromen-4-yl)amino]phenyl] pent-4-enoate has a molecular weight of 379.41 g/mol, XLogP of 4.44, 7 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] pent-4-enoate is sourced from PubChem (CID 135265436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).