N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C17H18N2O — CID 66395690

IUPACN-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(Cc1ccccc1N)C(=O)C1Cc2ccccc21
InChIInChI=1S/C17H18N2O/c1-19(11-13-7-3-5-9-16(13)18)17(20)15-10-12-6-2-4-8-14(12)15/h2-9,15H,10-11,18H2,1H3
InChIKeyYUYBOMUPBHJEGG-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.57
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66395690) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66395690
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC NameN-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCN(Cc1ccccc1N)C(=O)C1Cc2ccccc21
InChIInChI=1S/C17H18N2O/c1-19(11-13-7-3-5-9-16(13)18)17(20)15-10-12-6-2-4-8-14(12)15/h2-9,15H,10-11,18H2,1H3
InChIKeyYUYBOMUPBHJEGG-UHFFFAOYSA-N
XLogP2.57
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396917
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397141
N-[(2-aminophenyl)methyl]-N-methyloxolane-2-carboxamide
CID 43458438
N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396266
N-[(2-aminophenyl)methyl]-2,6-dichloro-N-methylbenzamide
CID 43458410
N-[(2-aminophenyl)methyl]-N,2,6-trimethylbenzamide
CID 107999875
N-(4-aminocyclohexyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 79121868
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
2-(2-aminophenyl)-N-[(2-hydroxyphenyl)methyl]-N-methylacetamide
CID 61115894
N-[(2-aminophenyl)methyl]-4-iodo-N-methylbenzamide
CID 43458354
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-phenylethanone
CID 23248

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66395690) is N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CN(Cc1ccccc1N)C(=O)C1Cc2ccccc21.
What is the InChIKey of N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is YUYBOMUPBHJEGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-19(11-13-7-3-5-9-16(13)18)17(20)15-10-12-6-2-4-8-14(12)15/h2-9,15H,10-11,18H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66395690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).