N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C14H20N2O — CID 66396266

IUPACN-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCN(CCCN)C(=O)C1Cc2ccccc21
InChIInChI=1S/C14H20N2O/c1-2-16(9-5-8-15)14(17)13-10-11-6-3-4-7-12(11)13/h3-4,6-7,13H,2,5,8-10,15H2,1H3
InChIKeyXRANSZOZFONYSZ-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.52
Rot. Bonds5

About N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66396266) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66396266
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESCCN(CCCN)C(=O)C1Cc2ccccc21
InChIInChI=1S/C14H20N2O/c1-2-16(9-5-8-15)14(17)13-10-11-6-3-4-7-12(11)13/h3-4,6-7,13H,2,5,8-10,15H2,1H3
InChIKeyXRANSZOZFONYSZ-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(3-hydroxypropyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113339452
N-(2-hydroxyethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396917
N-(2-aminoethyl)-N-cyclobutylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 102874151
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
N-(2-amino-2-hydroxyiminoethyl)-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 77136038
N-[(2-aminophenyl)methyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395690
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-N-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397141
N-propyl-N-(pyrrolidin-2-ylmethyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 106610262
2-[benzyl-[(7R)-bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl]amino]acetic acid
CID 164641554
2-[N-(bicyclo[4.2.0]octa-1,3,5-triene-7-carbonyl)anilino]acetic acid
CID 66397245
N-(3-aminopropyl)-N-ethyl-2-methylcyclopropane-1-carboxamide
CID 43136497
N-ethyl-N-(3-hydroxypropyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 115772095

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66396266) is N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is CCN(CCCN)C(=O)C1Cc2ccccc21.
What is the InChIKey of N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is XRANSZOZFONYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-16(9-5-8-15)14(17)13-10-11-6-3-4-7-12(11)13/h3-4,6-7,13H,2,5,8-10,15H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethylbicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66396266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).