N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide

C19H17NO3 — CID 100794377

IUPACN-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)Nc3c(C)cccc3C)cc2c1
InChIInChI=1S/C19H17NO3/c1-11-7-8-16-14(9-11)10-15(19(22)23-16)18(21)20-17-12(2)5-4-6-13(17)3/h4-10H,1-3H3,(H,20,21)
InChIKeyLRUACKBLVXFICN-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.97
Rot. Bonds2

About N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide

N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide (PubChem CID 100794377) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
PubChem CID100794377
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC NameN-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide
SMILESCc1ccc2oc(=O)c(C(=O)Nc3c(C)cccc3C)cc2c1
InChIInChI=1S/C19H17NO3/c1-11-7-8-16-14(9-11)10-15(19(22)23-16)18(21)20-17-12(2)5-4-6-13(17)3/h4-10H,1-3H3,(H,20,21)
InChIKeyLRUACKBLVXFICN-UHFFFAOYSA-N
XLogP3.97
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-(3-methylsulfanylphenyl)-2-oxochromene-3-carboxamide
CID 100794460
N-(4-butylphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794539
6-methyl-2-oxo-N-propylchromene-3-carboxamide
CID 100794324
6-chloro-N-(2,3-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 2987293
N-(1,3-benzodioxol-5-yl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794451
N-(2,5-dimethoxyphenyl)-6-methyl-2-oxochromene-3-carboxamide
CID 100794447
N-(2,4-dimethylphenyl)-6-nitro-2-oxochromene-3-carboxamide
CID 712627
6-chloro-N-(3,5-dimethylphenyl)-2-oxochromene-3-carboxamide
CID 100795001
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
2-amino-N-(2,6-dimethylphenyl)-5-methylbenzamide
CID 55083036
6-methyl-N-(2-morpholin-4-ylethyl)-2-oxochromene-3-carboxamide
CID 100794566
8-chloro-2-oxo-N-(2,4,6-trimethylphenyl)chromene-3-carboxamide
CID 100794927

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide (CID 100794377) is N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide is Cc1ccc2oc(=O)c(C(=O)Nc3c(C)cccc3C)cc2c1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
The InChIKey is LRUACKBLVXFICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-7-8-16-14(9-11)10-15(19(22)23-16)18(21)20-17-12(2)5-4-6-13(17)3/h4-10H,1-3H3,(H,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide?
N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-methyl-2-oxochromene-3-carboxamide is sourced from PubChem (CID 100794377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).