2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide

C18H22N2O3 — CID 134138241

IUPAC2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNC3CCCCC3)ccc12
InChIInChI=1S/C18H22N2O3/c1-12-9-18(22)23-16-10-14(7-8-15(12)16)20-17(21)11-19-13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3,(H,20,21)
InChIKeyTYRHXOFIGTWBAS-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.96
Rot. Bonds4

About 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide

2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 134138241) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID134138241
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCc1cc(=O)oc2cc(NC(=O)CNC3CCCCC3)ccc12
InChIInChI=1S/C18H22N2O3/c1-12-9-18(22)23-16-10-14(7-8-15(12)16)20-17(21)11-19-13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3,(H,20,21)
InChIKeyTYRHXOFIGTWBAS-UHFFFAOYSA-N
XLogP2.96
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
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 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 134138241) is 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide is Cc1cc(=O)oc2cc(NC(=O)CNC3CCCCC3)ccc12.
What is the InChIKey of 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is TYRHXOFIGTWBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-12-9-18(22)23-16-10-14(7-8-15(12)16)20-17(21)11-19-13-5-3-2-4-6-13/h7-10,13,19H,2-6,11H2,1H3,(H,20,21).
What are the key properties of 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide?
2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 314.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 134138241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).