N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide

C20H23N3O4 — CID 4906971

IUPACN-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)NCCCn3ccnc3)c(C)c2oc1=O
InChIInChI=1S/C20H23N3O4/c1-13-14(2)20(25)27-19-15(3)17(6-5-16(13)19)26-11-18(24)22-7-4-9-23-10-8-21-12-23/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,24)
InChIKeyPNHFBRUQRDXFHY-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.50
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide

N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 4906971) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID4906971
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1c(C)c2ccc(OCC(=O)NCCCn3ccnc3)c(C)c2oc1=O
InChIInChI=1S/C20H23N3O4/c1-13-14(2)20(25)27-19-15(3)17(6-5-16(13)19)26-11-18(24)22-7-4-9-23-10-8-21-12-23/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,24)
InChIKeyPNHFBRUQRDXFHY-UHFFFAOYSA-N
XLogP2.50
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide (CID 4906971) is N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide is Cc1c(C)c2ccc(OCC(=O)NCCCn3ccnc3)c(C)c2oc1=O.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is PNHFBRUQRDXFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13-14(2)20(25)27-19-15(3)17(6-5-16(13)19)26-11-18(24)22-7-4-9-23-10-8-21-12-23/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,24).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide?
N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 369.42 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(3,4,8-trimethyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 4906971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).