2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide

C21H22N2O5 — CID 51352108

IUPAC2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide
SMILESCOc1cc(OC)c2c(=O)c3cc(NC(=O)CNCC4CC4)ccc3oc2c1
InChIInChI=1S/C21H22N2O5/c1-26-14-8-17(27-2)20-18(9-14)28-16-6-5-13(7-15(16)21(20)25)23-19(24)11-22-10-12-3-4-12/h5-9,12,22H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyXFQUTBLUYJHUBB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.90
Rot. Bonds7

About 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide

2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide (PubChem CID 51352108) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide
PubChem CID51352108
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide
SMILESCOc1cc(OC)c2c(=O)c3cc(NC(=O)CNCC4CC4)ccc3oc2c1
InChIInChI=1S/C21H22N2O5/c1-26-14-8-17(27-2)20-18(9-14)28-16-6-5-13(7-15(16)21(20)25)23-19(24)11-22-10-12-3-4-12/h5-9,12,22H,3-4,10-11H2,1-2H3,(H,23,24)
InChIKeyXFQUTBLUYJHUBB-UHFFFAOYSA-N
XLogP2.90
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide (CID 51352108) is 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide is COc1cc(OC)c2c(=O)c3cc(NC(=O)CNCC4CC4)ccc3oc2c1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide?
The InChIKey is XFQUTBLUYJHUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-26-14-8-17(27-2)20-18(9-14)28-16-6-5-13(7-15(16)21(20)25)23-19(24)11-22-10-12-3-4-12/h5-9,12,22H,3-4,10-11H2,1-2H3,(H,23,24).
What are the key properties of 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide?
2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-(6,8-dimethoxy-9-oxoxanthen-2-yl)acetamide is sourced from PubChem (CID 51352108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).