N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

C24H27NO4 — CID 1185346

IUPACN-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3c(C(C)C)cccc3C(C)C)ccc12
InChIInChI=1S/C24H27NO4/c1-14(2)18-7-6-8-19(15(3)4)24(18)25-22(26)13-28-17-9-10-20-16(5)11-23(27)29-21(20)12-17/h6-12,14-15H,13H2,1-5H3,(H,25,26)
InChIKeyBKIZWCYCNIAWKA-UHFFFAOYSA-N
MW393.48 g/mol
LogP5.37
Rot. Bonds6

About N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide

N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (PubChem CID 1185346) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
PubChem CID1185346
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC NameN-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
SMILESCc1cc(=O)oc2cc(OCC(=O)Nc3c(C(C)C)cccc3C(C)C)ccc12
InChIInChI=1S/C24H27NO4/c1-14(2)18-7-6-8-19(15(3)4)24(18)25-22(26)13-28-17-9-10-20-16(5)11-23(27)29-21(20)12-17/h6-12,14-15H,13H2,1-5H3,(H,25,26)
InChIKeyBKIZWCYCNIAWKA-UHFFFAOYSA-N
XLogP5.37
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide (CID 1185346) is N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is Cc1cc(=O)oc2cc(OCC(=O)Nc3c(C(C)C)cccc3C(C)C)ccc12.
What is the InChIKey of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
The InChIKey is BKIZWCYCNIAWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c1-14(2)18-7-6-8-19(15(3)4)24(18)25-22(26)13-28-17-9-10-20-16(5)11-23(27)29-21(20)12-17/h6-12,14-15H,13H2,1-5H3,(H,25,26).
What are the key properties of N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide?
N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide has a molecular weight of 393.48 g/mol, XLogP of 5.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-di(propan-2-yl)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 1185346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).