N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C17H18N2O2 — CID 66396655

IUPACN-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCCOc1ccc(NC(=O)C2Cc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c18-9-10-21-14-7-5-13(6-8-14)19-17(20)16-11-12-3-1-2-4-15(12)16/h1-8,16H,9-11,18H2,(H,19,20)
InChIKeyXAYCQNCAMTXYCE-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.30
Rot. Bonds5

About N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66396655) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66396655
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC NameN-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESNCCOc1ccc(NC(=O)C2Cc3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c18-9-10-21-14-7-5-13(6-8-14)19-17(20)16-11-12-3-1-2-4-15(12)16/h1-8,16H,9-11,18H2,(H,19,20)
InChIKeyXAYCQNCAMTXYCE-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66396911
N-[2-(4-aminophenoxy)ethyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66397239
N-[4-(2-aminoethoxy)phenyl]cyclobutanecarboxamide
CID 43369279
N-[4-(1-aminoethyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66395901
(7R)-N-[3-(2-methylsulfonylethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95633379
methyl 2-[4-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]phenoxy]acetate
CID 51949510
N-(4-chloro-3-hydroxyphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394969
(7S)-N-[4-(1,3-thiazol-2-ylcarbamoyl)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 95981281
N-(3-acetylphenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64857039
N-[4-(2-aminoethoxy)phenyl]-2-methylbenzamide
CID 28754762
(5R)-N-(4-chlorophenyl)-11-methyl-5,6-dihydrobenzo[b][1]benzazepine-5-carboxamide
CID 40527090
N-[4-(2-aminoethoxy)phenyl]-4-methylpiperidine-1-carboxamide
CID 79160192

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66396655) is N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is NCCOc1ccc(NC(=O)C2Cc3ccccc32)cc1.
What is the InChIKey of N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is XAYCQNCAMTXYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-9-10-21-14-7-5-13(6-8-14)19-17(20)16-11-12-3-1-2-4-15(12)16/h1-8,16H,9-11,18H2,(H,19,20).
What are the key properties of N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 282.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)phenyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66396655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).