N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide

C20H21N3O — CID 58406775

IUPACN-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1ccc2c(c1)C(c1ccccc1C)=CCC2
InChIInChI=1S/C20H21N3O/c1-13-6-3-4-8-16(13)17-9-5-7-14-10-11-15(12-18(14)17)19(24)23-20(21)22-2/h3-4,6,8-12H,5,7H2,1-2H3,(H3,21,22,23,24)
InChIKeyIKMSYKHYBPMTMI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.05
Rot. Bonds2

About N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide

N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide (PubChem CID 58406775) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
PubChem CID58406775
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide
SMILESC/N=C(\N)NC(=O)c1ccc2c(c1)C(c1ccccc1C)=CCC2
InChIInChI=1S/C20H21N3O/c1-13-6-3-4-8-16(13)17-9-5-7-14-10-11-15(12-18(14)17)19(24)23-20(21)22-2/h3-4,6,8-12H,5,7H2,1-2H3,(H3,21,22,23,24)
InChIKeyIKMSYKHYBPMTMI-UHFFFAOYSA-N
XLogP3.05
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide (CID 58406775) is N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide is C/N=C(\N)NC(=O)c1ccc2c(c1)C(c1ccccc1C)=CCC2.
What is the InChIKey of N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
The InChIKey is IKMSYKHYBPMTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-13-6-3-4-8-16(13)17-9-5-7-14-10-11-15(12-18(14)17)19(24)23-20(21)22-2/h3-4,6,8-12H,5,7H2,1-2H3,(H3,21,22,23,24).
What are the key properties of N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide?
N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(N'-methylcarbamimidoyl)-8-(2-methylphenyl)-5,6-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 58406775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).