3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one

C18H18N2O2 — CID 146341794

IUPAC3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one
SMILESCC(c1ccccc1)N(C)c1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-12(13-8-4-3-5-9-13)20(2)17-14-10-6-7-11-15(14)22-18(21)16(17)19/h3-12H,19H2,1-2H3
InChIKeyYHLIWUKPRZIXHR-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.57
Rot. Bonds3

About 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one

3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one (PubChem CID 146341794) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one.

Molecular Properties

Compound Name3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one
PubChem CID146341794
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC Name3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one
SMILESCC(c1ccccc1)N(C)c1c(N)c(=O)oc2ccccc12
InChIInChI=1S/C18H18N2O2/c1-12(13-8-4-3-5-9-13)20(2)17-14-10-6-7-11-15(14)22-18(21)16(17)19/h3-12H,19H2,1-2H3
InChIKeyYHLIWUKPRZIXHR-UHFFFAOYSA-N
XLogP3.57
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one 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 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one?
The IUPAC name of 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one (CID 146341794) is 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one.
What is the SMILES notation for 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one?
The canonical SMILES for 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one is CC(c1ccccc1)N(C)c1c(N)c(=O)oc2ccccc12.
What is the InChIKey of 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one?
The InChIKey is YHLIWUKPRZIXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12(13-8-4-3-5-9-13)20(2)17-14-10-6-7-11-15(14)22-18(21)16(17)19/h3-12H,19H2,1-2H3.
What are the key properties of 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one?
3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one has a molecular weight of 294.35 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[methyl(1-phenylethyl)amino]chromen-2-one is sourced from PubChem (CID 146341794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).