tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate

C20H29ClN2O3 — CID 166332739

IUPACtert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC(=O)NC1CC(c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29ClN2O3/c1-13(2)23(19(25)26-20(3,4)5)12-18(24)22-17-10-15(11-17)14-6-8-16(21)9-7-14/h6-9,13,15,17H,10-12H2,1-5H3,(H,22,24)
InChIKeyUOXLEOCKYHMRGL-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.35
Rot. Bonds5

About tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate (PubChem CID 166332739) has the molecular formula C20H29ClN2O3 and a molecular weight of 380.92 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate
PubChem CID166332739
Molecular FormulaC20H29ClN2O3
Molecular Weight380.92 g/mol
Exact Mass380.19
IUPAC Nametert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CC(=O)NC1CC(c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C
InChIInChI=1S/C20H29ClN2O3/c1-13(2)23(19(25)26-20(3,4)5)12-18(24)22-17-10-15(11-17)14-6-8-16(21)9-7-14/h6-9,13,15,17H,10-12H2,1-5H3,(H,22,24)
InChIKeyUOXLEOCKYHMRGL-UHFFFAOYSA-N
XLogP4.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1R,3S)-3-(4-chlorophenyl)cyclohexyl]carbamate
CID 139378065
N-[3-(4-chlorophenyl)cyclobutyl]-2-cyanoacetamide
CID 166222343
methyl 2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-methylpropanoate
CID 43726137
tert-butyl N-[3-[(4-chlorophenyl)methylamino]cyclobutyl]carbamate
CID 80558975
3-(4-chlorophenyl)-N-(2,3,3-trimethylbutyl)cyclobutan-1-amine
CID 83142856
N-[3-(4-chlorophenyl)cyclobutyl]-2-[4-(ethylsulfamoyl)phenyl]acetamide
CID 166222395
tert-butyl N-[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]carbamate
CID 141045838
5-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]ethoxy]benzoic acid
CID 175661863
tert-butyl N-[2-[(3-methylcyclobutyl)amino]ethyl]-N-propan-2-ylcarbamate
CID 107245712
tert-butyl N-[3-[(2,4-dichlorophenyl)methylamino]cyclobutyl]carbamate
CID 107238824
tert-butyl N-[3-(3-chlorophenyl)-3-hydroxypropyl]-N-propan-2-ylcarbamate
CID 59364370
2-methyl-N-(3-phenylcyclobutyl)propanamide
CID 166834731

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate (CID 166332739) is tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate is CC(C)N(CC(=O)NC1CC(c2ccc(Cl)cc2)C1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate?
The InChIKey is UOXLEOCKYHMRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN2O3/c1-13(2)23(19(25)26-20(3,4)5)12-18(24)22-17-10-15(11-17)14-6-8-16(21)9-7-14/h6-9,13,15,17H,10-12H2,1-5H3,(H,22,24).
What are the key properties of tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate has a molecular weight of 380.92 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[[3-(4-chlorophenyl)cyclobutyl]amino]-2-oxoethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 166332739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).