N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

C21H19NO2 — CID 91962579

IUPACN-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C21H19NO2/c1-13-12-16(24-2)9-11-19(13)22-21(23)18-10-8-15-7-6-14-4-3-5-17(18)20(14)15/h3-5,8-12H,6-7H2,1-2H3,(H,22,23)
InChIKeyGECYDUDMELULJS-UHFFFAOYSA-N
MW317.39 g/mol
LogP4.51
Rot. Bonds3

About N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide

N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (PubChem CID 91962579) has the molecular formula C21H19NO2 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
PubChem CID91962579
Molecular FormulaC21H19NO2
Molecular Weight317.39 g/mol
Exact Mass317.14
IUPAC NameN-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)c(C)c1
InChIInChI=1S/C21H19NO2/c1-13-12-16(24-2)9-11-19(13)22-21(23)18-10-8-15-7-6-14-4-3-5-17(18)20(14)15/h3-5,8-12H,6-7H2,1-2H3,(H,22,23)
InChIKeyGECYDUDMELULJS-UHFFFAOYSA-N
XLogP4.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2-dihydroacenaphthylen-5-yl)-2,3-dimethoxybenzamide
CID 7533068
N-(3-chloro-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23992050
N-(2-ethylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23877086
N-(2-fluorophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 1301177
N-(4-iodophenyl)-1,2-dihydroacenaphthylene-5-carboxamide
CID 23940641
(2S)-9-hydroxy-N-(4-methoxy-2-methylphenyl)-2-methyl-11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraene-10-carboxamide
CID 124635080
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 1,2-dihydroacenaphthylene-5-carboxylate
CID 18123658
N-(1,2-dihydroacenaphthylen-5-ylcarbamothioyl)-2,4-dimethylbenzamide
CID 1287902
4-tert-butyl-N-(4-methoxy-2-methylphenyl)benzamide
CID 847793
2-amino-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 55138314
2-fluoro-N-(4-methoxy-2-methylphenyl)pyridine-3-carboxamide
CID 114037696
N-(4-methoxy-2-methylphenyl)-6-methyl-4-oxo-1H-pyridine-3-carboxamide
CID 103717918

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The IUPAC name of N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide (CID 91962579) is N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The canonical SMILES for N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is COc1ccc(NC(=O)c2ccc3c4c(cccc24)CC3)c(C)c1.
What is the InChIKey of N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
The InChIKey is GECYDUDMELULJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2/c1-13-12-16(24-2)9-11-19(13)22-21(23)18-10-8-15-7-6-14-4-3-5-17(18)20(14)15/h3-5,8-12H,6-7H2,1-2H3,(H,22,23).
What are the key properties of N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide?
N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-methylphenyl)-1,2-dihydroacenaphthylene-5-carboxamide is sourced from PubChem (CID 91962579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).