N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide

C14H20N2O — CID 43507810

IUPACN-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
SMILESCNC(C)c1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C14H20N2O/c1-10(15-2)12-7-4-8-13(9-12)16-14(17)11-5-3-6-11/h4,7-11,15H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyDMOSMYPBCGBLRO-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.71
Rot. Bonds4

About N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide

N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide (PubChem CID 43507810) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
PubChem CID43507810
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide
SMILESCNC(C)c1cccc(NC(=O)C2CCC2)c1
InChIInChI=1S/C14H20N2O/c1-10(15-2)12-7-4-8-13(9-12)16-14(17)11-5-3-6-11/h4,7-11,15H,3,5-6H2,1-2H3,(H,16,17)
InChIKeyDMOSMYPBCGBLRO-UHFFFAOYSA-N
XLogP2.71
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[3-[1-(methylamino)ethyl]phenyl]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-[3-(1-aminoethyl)phenyl]cyclohexanecarboxamide
CID 16796065
N-[3-(1-aminoethyl)phenyl]cyclopentanecarboxamide
CID 16787772
2-cyclobutyl-N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 103162221
(2R,6S)-2,6-dimethyl-N-[3-[1-(methylamino)ethyl]phenyl]piperidine-1-carboxamide
CID 104968384
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[1-(3-acetamidophenyl)ethyl]cyclohexanecarboxamide
CID 46580283
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
N-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]cyclopentanecarboxamide
CID 68644459
2-methyl-N-[3-[1-(methylamino)ethyl]phenyl]propanamide
CID 43507738
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
1-(2-hydroxycyclohexyl)-3-[3-[1-(methylamino)ethyl]phenyl]urea
CID 62359300
4-amino-N-(3-propan-2-ylphenyl)cyclohexane-1-carboxamide
CID 60848284

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide (CID 43507810) is N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide is CNC(C)c1cccc(NC(=O)C2CCC2)c1.
What is the InChIKey of N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide?
The InChIKey is DMOSMYPBCGBLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(15-2)12-7-4-8-13(9-12)16-14(17)11-5-3-6-11/h4,7-11,15H,3,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide?
N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide has a molecular weight of 232.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(methylamino)ethyl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 43507810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).