tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate

C19H30N2O2 — CID 107239837

IUPACtert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
SMILESCC1(C)CCC(Nc2cccc(NC(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-16-8-6-7-15(13-16)20-14-9-11-19(4,5)12-10-14/h6-8,13-14,20H,9-12H2,1-5H3,(H,21,22)
InChIKeyMOHXQXWFPGCBFE-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.41
Rot. Bonds3

About tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate

tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate (PubChem CID 107239837) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
PubChem CID107239837
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
SMILESCC1(C)CCC(Nc2cccc(NC(=O)OC(C)(C)C)c2)CC1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-16-8-6-7-15(13-16)20-14-9-11-19(4,5)12-10-14/h6-8,13-14,20H,9-12H2,1-5H3,(H,21,22)
InChIKeyMOHXQXWFPGCBFE-UHFFFAOYSA-N
XLogP5.41
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
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-[(2,4,4-trimethylcyclopentyl)amino]phenyl]carbamate
CID 107239998
tert-butyl N-[3-[(3-aminocyclopentyl)amino]phenyl]carbamate
CID 107239958
tert-butyl N-[5-[(4,4-dimethylcyclohexyl)amino]-2-pyridinyl]carbamate
CID 107243151
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-[4-(3-methylanilino)cyclohexyl]carbamate
CID 103715317
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
tert-butyl N-[3-[(3-methyloxetan-3-yl)methylamino]phenyl]carbamate
CID 107239965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate (CID 107239837) is tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate is CC1(C)CCC(Nc2cccc(NC(=O)OC(C)(C)C)c2)CC1.
What is the InChIKey of tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate?
The InChIKey is MOHXQXWFPGCBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-16-8-6-7-15(13-16)20-14-9-11-19(4,5)12-10-14/h6-8,13-14,20H,9-12H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate?
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 5.41, 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-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 107239837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).