tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate

C19H30N2O2 — CID 103719611

IUPACtert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
SMILESCC(C)c1ccccc1NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H30N2O2/c1-13(2)16-8-6-7-9-17(16)20-14-10-11-15(12-14)21-18(22)23-19(3,4)5/h6-9,13-15,20H,10-12H2,1-5H3,(H,21,22)
InChIKeyLEDLPSAIWUFVRM-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.67
Rot. Bonds4

About tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate

tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate (PubChem CID 103719611) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
PubChem CID103719611
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate
SMILESCC(C)c1ccccc1NC1CCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H30N2O2/c1-13(2)16-8-6-7-9-17(16)20-14-10-11-15(12-14)21-18(22)23-19(3,4)5/h6-9,13-15,20H,10-12H2,1-5H3,(H,21,22)
InChIKeyLEDLPSAIWUFVRM-UHFFFAOYSA-N
XLogP4.67
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[2-(hydroxymethyl)anilino]cyclohexyl]carbamate
CID 103720124
tert-butyl N-[3-(3-bromo-2-methylanilino)cyclopentyl]carbamate
CID 107629946
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[3-(2,3-dihydro-1H-inden-2-ylamino)cyclopentyl]carbamate
CID 107849928
tert-butyl N-[(1R)-3-(2-bromo-4-methylanilino)cyclopentyl]carbamate
CID 129193732
tert-butyl N-[3-(3-methylanilino)cyclopentyl]carbamate
CID 79461940
tert-butyl N-[3-(2-chloro-5-fluoroanilino)cyclopentyl]carbamate
CID 107527251
cis-methyl (1R,3S)-3-(2-propan-2-ylanilino)cyclohexane-1-carboxylate
CID 167456642
tert-butyl N-[4-(2-nitroanilino)cyclohexyl]carbamate
CID 59135470
tert-butyl N-[3-(5-chloro-2-methoxyanilino)cyclopentyl]carbamate
CID 103719625
tert-butyl N-[3-(1-phenylpropylamino)cyclopentyl]carbamate
CID 103719879
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
CID 57248020

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate?
The IUPAC name of tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate (CID 103719611) is tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate is CC(C)c1ccccc1NC1CCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate?
The InChIKey is LEDLPSAIWUFVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13(2)16-8-6-7-9-17(16)20-14-10-11-15(12-14)21-18(22)23-19(3,4)5/h6-9,13-15,20H,10-12H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate?
tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(2-propan-2-ylanilino)cyclopentyl]carbamate is sourced from PubChem (CID 103719611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).