2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide

C18H18N2O3 — CID 167542121

IUPAC2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCc1ccc2c(c1)c(=O)oc1cc(NC(=O)CN(C)C)ccc12
InChIInChI=1S/C18H18N2O3/c1-11-4-6-13-14-7-5-12(19-17(21)10-20(2)3)9-16(14)23-18(22)15(13)8-11/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyBNLGNCHERMRWQN-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.75
Rot. Bonds3

About 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide

2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide (PubChem CID 167542121) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide
PubChem CID167542121
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide
SMILESCc1ccc2c(c1)c(=O)oc1cc(NC(=O)CN(C)C)ccc12
InChIInChI=1S/C18H18N2O3/c1-11-4-6-13-14-7-5-12(19-17(21)10-20(2)3)9-16(14)23-18(22)15(13)8-11/h4-9H,10H2,1-3H3,(H,19,21)
InChIKeyBNLGNCHERMRWQN-UHFFFAOYSA-N
XLogP2.75
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide (CID 167542121) is 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide is Cc1ccc2c(c1)c(=O)oc1cc(NC(=O)CN(C)C)ccc12.
What is the InChIKey of 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide?
The InChIKey is BNLGNCHERMRWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-4-6-13-14-7-5-12(19-17(21)10-20(2)3)9-16(14)23-18(22)15(13)8-11/h4-9H,10H2,1-3H3,(H,19,21).
What are the key properties of 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide?
2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide has a molecular weight of 310.35 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(8-methyl-6-oxobenzo[c]chromen-3-yl)acetamide is sourced from PubChem (CID 167542121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).