benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate

C21H27N3O2 — CID 103392905

IUPACbenzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
SMILESCN(C)c1ccc(CNC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C21H27N3O2/c1-24(2)20-10-8-16(9-11-20)14-22-18-12-19(13-18)23-21(25)26-15-17-6-4-3-5-7-17/h3-11,18-19,22H,12-15H2,1-2H3,(H,23,25)
InChIKeyPAJWXAFVXBRUQY-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.30
Rot. Bonds7

About benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate

benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate (PubChem CID 103392905) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
PubChem CID103392905
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Namebenzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
SMILESCN(C)c1ccc(CNC2CC(NC(=O)OCc3ccccc3)C2)cc1
InChIInChI=1S/C21H27N3O2/c1-24(2)20-10-8-16(9-11-20)14-22-18-12-19(13-18)23-21(25)26-15-17-6-4-3-5-7-17/h3-11,18-19,22H,12-15H2,1-2H3,(H,23,25)
InChIKeyPAJWXAFVXBRUQY-UHFFFAOYSA-N
XLogP3.30
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]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

benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-[(3-fluorophenyl)methylamino]cyclobutyl]carbamate
CID 103392944
methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
CID 156506450
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-[3-[(1-hydroxycyclopentyl)methylamino]cyclobutyl]carbamate
CID 103393492
benzyl N-[3-[(5-bromothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393251
benzyl N-[3-[(5-chlorothiophen-2-yl)methylamino]cyclobutyl]carbamate
CID 103393456
benzyl N-[3-[(2-methyl-1,3-thiazol-5-yl)methylamino]cyclobutyl]carbamate
CID 103393285
benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate
CID 103392910

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate (CID 103392905) is benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate is CN(C)c1ccc(CNC2CC(NC(=O)OCc3ccccc3)C2)cc1.
What is the InChIKey of benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate?
The InChIKey is PAJWXAFVXBRUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-24(2)20-10-8-16(9-11-20)14-22-18-12-19(13-18)23-21(25)26-15-17-6-4-3-5-7-17/h3-11,18-19,22H,12-15H2,1-2H3,(H,23,25).
What are the key properties of benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate?
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate has a molecular weight of 353.47 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate is sourced from PubChem (CID 103392905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).