N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide

C24H23N3O4 — CID 4839553

IUPACN-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESCC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C24H23N3O4/c1-17(24(29)26-10-5-12-27-13-11-25-16-27)30-19-8-9-20-21(18-6-3-2-4-7-18)15-23(28)31-22(20)14-19/h2-4,6-9,11,13-17H,5,10,12H2,1H3,(H,26,29)
InChIKeyKWSBBEWXGYPTOC-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.63
Rot. Bonds8

About N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide

N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (PubChem CID 4839553) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
PubChem CID4839553
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide
SMILESCC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCCn1ccnc1
InChIInChI=1S/C24H23N3O4/c1-17(24(29)26-10-5-12-27-13-11-25-16-27)30-19-8-9-20-21(18-6-3-2-4-7-18)15-23(28)31-22(20)14-19/h2-4,6-9,11,13-17H,5,10,12H2,1H3,(H,26,29)
InChIKeyKWSBBEWXGYPTOC-UHFFFAOYSA-N
XLogP3.63
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.63
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-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide (CID 4839553) is N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is CC(Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1)C(=O)NCCCn1ccnc1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
The InChIKey is KWSBBEWXGYPTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-17(24(29)26-10-5-12-27-13-11-25-16-27)30-19-8-9-20-21(18-6-3-2-4-7-18)15-23(28)31-22(20)14-19/h2-4,6-9,11,13-17H,5,10,12H2,1H3,(H,26,29).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide?
N-(3-imidazol-1-ylpropyl)-2-(2-oxo-4-phenylchromen-7-yl)oxypropanamide has a molecular weight of 417.47 g/mol, XLogP of 3.63, 8 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-(2-oxo-4-phenylchromen-7-yl)oxypropanamide is sourced from PubChem (CID 4839553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).