2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide

C18H15NO4 — CID 44541904

IUPAC2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide
SMILESNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H15NO4/c19-17(20)8-13-9-18(21)23-16-10-14(6-7-15(13)16)22-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H2,19,20)
InChIKeyXAUATGLGKLEUAX-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.40
Rot. Bonds5

About 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide

2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide (PubChem CID 44541904) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide
PubChem CID44541904
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide
SMILESNC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H15NO4/c19-17(20)8-13-9-18(21)23-16-10-14(6-7-15(13)16)22-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H2,19,20)
InChIKeyXAUATGLGKLEUAX-UHFFFAOYSA-N
XLogP2.40
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
The IUPAC name of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide (CID 44541904) is 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide.
What is the SMILES notation for 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
The canonical SMILES for 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide is NC(=O)Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
The InChIKey is XAUATGLGKLEUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c19-17(20)8-13-9-18(21)23-16-10-14(6-7-15(13)16)22-11-12-4-2-1-3-5-12/h1-7,9-10H,8,11H2,(H2,19,20).
What are the key properties of 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide?
2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide has a molecular weight of 309.32 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-7-phenylmethoxychromen-4-yl)acetamide is sourced from PubChem (CID 44541904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).