tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate

C18H28N2O2 — CID 107239831

IUPACtert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
SMILESCC1(C)CCC(Nc2cccc(NC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C18H28N2O2/c1-17(2,3)22-16(21)20-14-8-6-7-13(11-14)19-15-9-10-18(4,5)12-15/h6-8,11,15,19H,9-10,12H2,1-5H3,(H,20,21)
InChIKeyFCYLOJHPUAAJJH-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.02
Rot. Bonds3

About tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate

tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate (PubChem CID 107239831) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
PubChem CID107239831
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
SMILESCC1(C)CCC(Nc2cccc(NC(=O)OC(C)(C)C)c2)C1
InChIInChI=1S/C18H28N2O2/c1-17(2,3)22-16(21)20-14-8-6-7-13(11-14)19-15-9-10-18(4,5)12-15/h6-8,11,15,19H,9-10,12H2,1-5H3,(H,20,21)
InChIKeyFCYLOJHPUAAJJH-UHFFFAOYSA-N
XLogP5.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
CID 107239998
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
tert-butyl N-[3-[[(3R,4S)-3-methylpiperidin-4-yl]amino]phenyl]carbamate
CID 68959408
tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239965
tert-butyl N-[3-[(1-oxido-2-oxopiperidin-1-ium-3-yl)amino]phenyl]carbamate
CID 163891937

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate (CID 107239831) is tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate is CC1(C)CCC(Nc2cccc(NC(=O)OC(C)(C)C)c2)C1.
What is the InChIKey of tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate?
The InChIKey is FCYLOJHPUAAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-17(2,3)22-16(21)20-14-8-6-7-13(11-14)19-15-9-10-18(4,5)12-15/h6-8,11,15,19H,9-10,12H2,1-5H3,(H,20,21).
What are the key properties of tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate?
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 5.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate is sourced from PubChem (CID 107239831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).