N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide

C16H23NO2 — CID 22922635

IUPACN-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
SMILESCOc1cccc(CCCCNC(=O)C2CCC2)c1
InChIInChI=1S/C16H23NO2/c1-19-15-10-4-7-13(12-15)6-2-3-11-17-16(18)14-8-5-9-14/h4,7,10,12,14H,2-3,5-6,8-9,11H2,1H3,(H,17,18)
InChIKeyALIPPCHTBHAZHA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.93
Rot. Bonds7

About N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide

N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide (PubChem CID 22922635) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
PubChem CID22922635
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC NameN-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide
SMILESCOc1cccc(CCCCNC(=O)C2CCC2)c1
InChIInChI=1S/C16H23NO2/c1-19-15-10-4-7-13(12-15)6-2-3-11-17-16(18)14-8-5-9-14/h4,7,10,12,14H,2-3,5-6,8-9,11H2,1H3,(H,17,18)
InChIKeyALIPPCHTBHAZHA-UHFFFAOYSA-N
XLogP2.93
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide 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-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]cyclohexanecarboxamide
CID 113055884
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
(1R,3R,4S)-4-hydroxy-3-methoxy-N-[3-(3-methoxyphenyl)propyl]cyclohexane-1-carboxamide
CID 135114422
1-(benzenesulfonyl)-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 100645726
N-[3-(3-methoxyphenyl)propyl]piperidine-2-carboxamide;hydrochloride
CID 119316858
N-[2-[[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]ethyl]cyclopentanecarboxamide
CID 60612591
(3S)-1-(4-fluorophenyl)sulfonyl-N-[3-(3-methoxyphenyl)propyl]piperidine-3-carboxamide
CID 100670690
N-[2-[2-(3-methoxyphenyl)ethyl-methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 113067686
N-[2-(cyclopentanecarbonylamino)ethyl]-3-methoxybenzamide
CID 134039540
1-[(2-chloro-6-fluorophenyl)methyl]-N-[3-(3-methoxyphenyl)propyl]piperidine-4-carboxamide
CID 45015752
2-N-butyl-1-N-[2-(3-methoxyphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 109131252

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide?
The IUPAC name of N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide (CID 22922635) is N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide?
The canonical SMILES for N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide is COc1cccc(CCCCNC(=O)C2CCC2)c1.
What is the InChIKey of N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide?
The InChIKey is ALIPPCHTBHAZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-19-15-10-4-7-13(12-15)6-2-3-11-17-16(18)14-8-5-9-14/h4,7,10,12,14H,2-3,5-6,8-9,11H2,1H3,(H,17,18).
What are the key properties of N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide?
N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenyl)butyl]cyclobutanecarboxamide is sourced from PubChem (CID 22922635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).