tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate

C18H25NO3 — CID 164574327

IUPACtert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(Cc2ccc(C=O)cc2)C1
InChIInChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19(4)16-10-15(11-16)9-13-5-7-14(12-20)8-6-13/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyGAIBFXUODKKSAT-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.69
Rot. Bonds4

About tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate

tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate (PubChem CID 164574327) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate
PubChem CID164574327
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Nametert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(Cc2ccc(C=O)cc2)C1
InChIInChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19(4)16-10-15(11-16)9-13-5-7-14(12-20)8-6-13/h5-8,12,15-16H,9-11H2,1-4H3
InChIKeyGAIBFXUODKKSAT-UHFFFAOYSA-N
XLogP3.69
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate 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

tert-butyl N-methyl-N-[3-(2-methylpropyl)cyclobutyl]carbamate
CID 118422917
tert-butyl N-(4-formylphenyl)-N-methylcarbamate
CID 58592072
tert-butyl N-[cyclopropyl-(4-formylphenyl)methyl]-N-methylcarbamate
CID 164531539
tert-butyl N-[1-(2-cyano-4-formylphenyl)piperidin-4-yl]-N-methylcarbamate
CID 170906742
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
tert-butyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutane-1-carboxylate
CID 175940322
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-[(1R,2S,3S)-2-(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxy]cyclobutyl]-N-methylcarbamate
CID 170767545
tert-butyl N-[(1S,3S,4S)-3-(hydroxymethyl)-4-phenylcyclopentyl]-N-methylcarbamate
CID 18345112
tert-butyl N-[3-(4-formylphenoxy)propyl]-N-methylcarbamate
CID 157022008
tert-butyl N-[1-[(6-bromo-3-pyridinyl)methyl]piperidin-4-yl]-N-methylcarbamate
CID 71647287
tert-butyl N-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)-N-methylcarbamate
CID 174271276

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate (CID 164574327) is tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC(Cc2ccc(C=O)cc2)C1.
What is the InChIKey of tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate?
The InChIKey is GAIBFXUODKKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-18(2,3)22-17(21)19(4)16-10-15(11-16)9-13-5-7-14(12-20)8-6-13/h5-8,12,15-16H,9-11H2,1-4H3.
What are the key properties of tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate?
tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate has a molecular weight of 303.40 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(4-formylphenyl)methyl]cyclobutyl]-N-methylcarbamate is sourced from PubChem (CID 164574327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).