benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate

C20H27N3O2S — CID 103392910

IUPACbenzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate
SMILESCN(C)C(CNC1CC(NC(=O)OCc2ccccc2)C1)c1cccs1
InChIInChI=1S/C20H27N3O2S/c1-23(2)18(19-9-6-10-26-19)13-21-16-11-17(12-16)22-20(24)25-14-15-7-4-3-5-8-15/h3-10,16-18,21H,11-14H2,1-2H3,(H,22,24)
InChIKeyWLAXVKCCPQYBIC-UHFFFAOYSA-N
MW373.52 g/mol
LogP3.40
Rot. Bonds8

About benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate

benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate (PubChem CID 103392910) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate
PubChem CID103392910
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Namebenzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate
SMILESCN(C)C(CNC1CC(NC(=O)OCc2ccccc2)C1)c1cccs1
InChIInChI=1S/C20H27N3O2S/c1-23(2)18(19-9-6-10-26-19)13-21-16-11-17(12-16)22-20(24)25-14-15-7-4-3-5-8-15/h3-10,16-18,21H,11-14H2,1-2H3,(H,22,24)
InChIKeyWLAXVKCCPQYBIC-UHFFFAOYSA-N
XLogP3.40
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[3-[(3-hydroxy-2-methylpropyl)amino]cyclobutyl]carbamate
CID 103393487
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
benzyl N-[3-[[4-(dimethylamino)phenyl]methylamino]cyclobutyl]carbamate
CID 103392905
benzyl N-[3-(1-hydroxypropan-2-ylamino)cyclobutyl]carbamate
CID 103392982
benzyl N-[3-[(3-amino-3-oxopropyl)amino]cyclobutyl]carbamate
CID 103392992
methyl-[3-(phenylmethoxycarbonylamino)cyclobutyl]carbamic acid
CID 156506450
1-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]piperidin-1-yl]ethanone
CID 43223422
benzyl N-[3-[(4-propan-2-ylphenyl)methylamino]cyclobutyl]carbamate
CID 103393345
benzyl N-[3-[(2-hydroxyphenyl)methylamino]cyclobutyl]carbamate
CID 103393812
benzyl N-[3-(3-methylsulfanylbutylamino)cyclobutyl]carbamate
CID 103393780
methyl (2S)-2-[[3-(phenylmethoxycarbonylamino)cyclobutyl]amino]propanoate
CID 103393109
benzyl N-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]cyclobutyl]carbamate
CID 103393718

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate?
The IUPAC name of benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate (CID 103392910) is benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate.
What is the SMILES notation for benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate?
The canonical SMILES for benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate is CN(C)C(CNC1CC(NC(=O)OCc2ccccc2)C1)c1cccs1.
What is the InChIKey of benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate?
The InChIKey is WLAXVKCCPQYBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-23(2)18(19-9-6-10-26-19)13-21-16-11-17(12-16)22-20(24)25-14-15-7-4-3-5-8-15/h3-10,16-18,21H,11-14H2,1-2H3,(H,22,24).
What are the key properties of benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate?
benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate has a molecular weight of 373.52 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-[[2-(dimethylamino)-2-thiophen-2-ylethyl]amino]cyclobutyl]carbamate is sourced from PubChem (CID 103392910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).