N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C21H21N3O4 — CID 6881773

IUPACN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C21H21N3O4/c1-14-10-21(26)28-19-11-17(8-9-18(14)19)27-13-20(25)23-22-12-15-4-6-16(7-5-15)24(2)3/h4-12H,13H2,1-3H3,(H,23,25)/b22-12+
InChIKeyNJJRBIYDQQQSLW-WSDLNYQXSA-N
MW379.42 g/mol
LogP2.70
Rot. Bonds6

About N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 6881773) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID6881773
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(N(C)C)cc3)ccc12
InChIInChI=1S/C21H21N3O4/c1-14-10-21(26)28-19-11-17(8-9-18(14)19)27-13-20(25)23-22-12-15-4-6-16(7-5-15)24(2)3/h4-12H,13H2,1-3H3,(H,23,25)/b22-12+
InChIKeyNJJRBIYDQQQSLW-WSDLNYQXSA-N
XLogP2.70
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 6881773) is N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)N/N=C/c3ccc(N(C)C)cc3)ccc12.
What is the InChIKey of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is NJJRBIYDQQQSLW-WSDLNYQXSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-10-21(26)28-19-11-17(8-9-18(14)19)27-13-20(25)23-22-12-15-4-6-16(7-5-15)24(2)3/h4-12H,13H2,1-3H3,(H,23,25)/b22-12+.
What are the key properties of N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 379.42 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 6881773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).