3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide

C20H20N2O3 — CID 60537644

IUPAC3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide
SMILESCc1ccc2c(CNc3cccc(C(N)=O)c3C)cc(=O)oc2c1C
InChIInChI=1S/C20H20N2O3/c1-11-7-8-16-14(9-18(23)25-19(16)12(11)2)10-22-17-6-4-5-15(13(17)3)20(21)24/h4-9,22H,10H2,1-3H3,(H2,21,24)
InChIKeyCVFSYAOWZZYBAM-UHFFFAOYSA-N
MW336.39 g/mol
LogP3.43
Rot. Bonds4

About 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide

3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide (PubChem CID 60537644) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide
PubChem CID60537644
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide
SMILESCc1ccc2c(CNc3cccc(C(N)=O)c3C)cc(=O)oc2c1C
InChIInChI=1S/C20H20N2O3/c1-11-7-8-16-14(9-18(23)25-19(16)12(11)2)10-22-17-6-4-5-15(13(17)3)20(21)24/h4-9,22H,10H2,1-3H3,(H2,21,24)
InChIKeyCVFSYAOWZZYBAM-UHFFFAOYSA-N
XLogP3.43
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylphenyl]acetamide
CID 34068677
2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide
CID 9347174
4-[(4-acetylanilino)methyl]-7,8-dimethylchromen-2-one
CID 9345895
N-[3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-4-fluorophenyl]acetamide
CID 34067725
4-[(5-chloro-2-methoxyanilino)methyl]-7,8-dimethylchromen-2-one
CID 9346165
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
4-[(4-bromo-3-methylanilino)methyl]-7,8-dimethylchromen-2-one
CID 7928687
4-[(2,4-dimethylanilino)methyl]-7-hydroxy-8-methylchromen-2-one
CID 9345429
7,8-dimethyl-4-[(2-phenylethylamino)methyl]chromen-2-one
CID 7492362
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
CID 7841115
4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide
CID 7931392
4-(bromomethyl)-7,8-dimethylchromen-2-one
CID 91484430

Frequently Asked Questions

What is the IUPAC name of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide?
The IUPAC name of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide (CID 60537644) is 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide.
What is the SMILES notation for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide?
The canonical SMILES for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide is Cc1ccc2c(CNc3cccc(C(N)=O)c3C)cc(=O)oc2c1C.
What is the InChIKey of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide?
The InChIKey is CVFSYAOWZZYBAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-11-7-8-16-14(9-18(23)25-19(16)12(11)2)10-22-17-6-4-5-15(13(17)3)20(21)24/h4-9,22H,10H2,1-3H3,(H2,21,24).
What are the key properties of 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide?
3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide has a molecular weight of 336.39 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-2-methylbenzamide is sourced from PubChem (CID 60537644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).