[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate

C13H17ClN2O2 — CID 79346589

IUPAC[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate
SMILESCNCC1CC(OC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O2/c1-15-8-9-5-12(6-9)18-13(17)16-11-4-2-3-10(14)7-11/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyINSICHMFYRUOTG-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.89
Rot. Bonds4

About [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate

[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate (PubChem CID 79346589) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate
PubChem CID79346589
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate
SMILESCNCC1CC(OC(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C13H17ClN2O2/c1-15-8-9-5-12(6-9)18-13(17)16-11-4-2-3-10(14)7-11/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17)
InChIKeyINSICHMFYRUOTG-UHFFFAOYSA-N
XLogP2.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate 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

[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate
CID 79345354
[(2R,4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] N-(3-chlorophenyl)carbamate
CID 124922833
methyl N-(3-chlorophenyl)carbamate
CID 16529
[(1R,2R,6S,7R,8R)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
CID 11896848
[(1R,2R,6S,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
CID 11896849
[(1R,2S,6R,7R,8S)-8-tricyclo[5.2.1.02,6]decanyl] N-(3-chlorophenyl)carbamate
CID 25408044
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
CID 38887276
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
1-(3-chlorophenyl)-3-[4-(methylamino)cyclohexyl]urea
CID 79110382
1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583

Frequently Asked Questions

What is the IUPAC name of [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate?
The IUPAC name of [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate (CID 79346589) is [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate is CNCC1CC(OC(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate?
The InChIKey is INSICHMFYRUOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-15-8-9-5-12(6-9)18-13(17)16-11-4-2-3-10(14)7-11/h2-4,7,9,12,15H,5-6,8H2,1H3,(H,16,17).
What are the key properties of [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate?
[3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate has a molecular weight of 268.74 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylaminomethyl)cyclobutyl] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 79346589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).