N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide

C20H23NO2 — CID 51960739

IUPACN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)cc1
InChIInChI=1S/C20H23NO2/c1-2-3-12-23-18-10-8-15(9-11-18)20(22)21-14-17-13-16-6-4-5-7-19(16)17/h4-11,17H,2-3,12-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyGJOJQSHZYTVDLI-KRWDZBQOSA-N
MW309.41 g/mol
LogP3.94
Rot. Bonds7

About N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide

N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide (PubChem CID 51960739) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide.

Molecular Properties

Compound NameN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide
PubChem CID51960739
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC NameN-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide
SMILESCCCCOc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)cc1
InChIInChI=1S/C20H23NO2/c1-2-3-12-23-18-10-8-15(9-11-18)20(22)21-14-17-13-16-6-4-5-7-19(16)17/h4-11,17H,2-3,12-14H2,1H3,(H,21,22)/t17-/m0/s1
InChIKeyGJOJQSHZYTVDLI-KRWDZBQOSA-N
XLogP3.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-4-iodobenzamide
CID 60811719
4-butoxy-N-(3,4-dihydro-1H-isochromen-3-ylmethyl)benzamide
CID 90635191
4-ethoxy-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)benzamide
CID 46578689
4-butoxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542341
4-butoxy-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]benzamide
CID 56516937
2-amino-N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-methoxybenzamide
CID 61111294
N-butyl-4-propoxybenzamide
CID 17142951
4-butoxy-N-hexadecylbenzamide
CID 4936106
N-[(2-ethylcyclopentyl)methyl]-4-hexoxybenzamide
CID 21361598
N-[(2-fluorophenyl)methyl]-4-pentoxybenzamide
CID 17068474
4-butoxy-N-[[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]benzamide
CID 92757640
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104641687

Frequently Asked Questions

What is the IUPAC name of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide?
The IUPAC name of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide (CID 51960739) is N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide.
What is the SMILES notation for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide?
The canonical SMILES for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide is CCCCOc1ccc(C(=O)NC[C@@H]2Cc3ccccc32)cc1.
What is the InChIKey of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide?
The InChIKey is GJOJQSHZYTVDLI-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H23NO2/c1-2-3-12-23-18-10-8-15(9-11-18)20(22)21-14-17-13-16-6-4-5-7-19(16)17/h4-11,17H,2-3,12-14H2,1H3,(H,21,22)/t17-/m0/s1.
What are the key properties of N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide?
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide has a molecular weight of 309.41 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-butoxybenzamide is sourced from PubChem (CID 51960739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).