4-butoxy-N-cyclobutylbenzamide

C15H21NO2 — CID 71449411

IUPAC4-butoxy-N-cyclobutylbenzamide
SMILESCCCCOc1ccc(C(=O)NC2CCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-3-11-18-14-9-7-12(8-10-14)15(17)16-13-5-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
InChIKeyITUOIRDFIVPZPC-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.15
Rot. Bonds6

About 4-butoxy-N-cyclobutylbenzamide

4-butoxy-N-cyclobutylbenzamide (PubChem CID 71449411) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-butoxy-N-cyclobutylbenzamide.

Molecular Properties

Compound Name4-butoxy-N-cyclobutylbenzamide
PubChem CID71449411
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name4-butoxy-N-cyclobutylbenzamide
SMILESCCCCOc1ccc(C(=O)NC2CCC2)cc1
InChIInChI=1S/C15H21NO2/c1-2-3-11-18-14-9-7-12(8-10-14)15(17)16-13-5-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17)
InChIKeyITUOIRDFIVPZPC-UHFFFAOYSA-N
XLogP3.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-butoxy-N-cyclobutylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclohexyl-4-propoxybenzamide
CID 4938429
4-pentoxy-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453192
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-butoxybenzamide;hydrochloride
CID 119456286
N-cyclopentyl-4-(3-methylbutoxy)benzamide
CID 4948351
4-butoxy-N-[4-(5-fluoropyrimidin-2-yl)oxycyclohexyl]benzamide
CID 90634200
4-(2-aminoethoxy)-N-cyclohexylbenzamide
CID 22362508
N-cyclohexyl-4-[(4-heptoxybenzoyl)carbamothioylamino]benzamide
CID 43878562
N-cyclohexyl-4-[[2-(4-hexoxyanilino)acetyl]amino]benzamide
CID 54820151
N-cyclohexyl-2-[(4-hexoxybenzoyl)amino]benzamide
CID 4933656
4-butyl-N-cyclopentylbenzamide
CID 60674795
4-butoxy-N-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]benzamide
CID 24982875
N-[2-(aminomethyl)cyclohexyl]-4-butoxybenzamide
CID 119610066

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-cyclobutylbenzamide?
The IUPAC name of 4-butoxy-N-cyclobutylbenzamide (CID 71449411) is 4-butoxy-N-cyclobutylbenzamide.
What is the SMILES notation for 4-butoxy-N-cyclobutylbenzamide?
The canonical SMILES for 4-butoxy-N-cyclobutylbenzamide is CCCCOc1ccc(C(=O)NC2CCC2)cc1.
What is the InChIKey of 4-butoxy-N-cyclobutylbenzamide?
The InChIKey is ITUOIRDFIVPZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-3-11-18-14-9-7-12(8-10-14)15(17)16-13-5-4-6-13/h7-10,13H,2-6,11H2,1H3,(H,16,17).
What are the key properties of 4-butoxy-N-cyclobutylbenzamide?
4-butoxy-N-cyclobutylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-cyclobutylbenzamide is sourced from PubChem (CID 71449411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).