tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate

C18H28N2O2 — CID 107239611

IUPACtert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16-11-9-14(10-12-16)13-19-15-7-5-4-6-8-15/h9-12,15,19H,4-8,13H2,1-3H3,(H,20,21)
InChIKeyBIYRMOWTPXOMSZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate

tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate (PubChem CID 107239611) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
PubChem CID107239611
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CNC2CCCCC2)cc1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16-11-9-14(10-12-16)13-19-15-7-5-4-6-8-15/h9-12,15,19H,4-8,13H2,1-3H3,(H,20,21)
InChIKeyBIYRMOWTPXOMSZ-UHFFFAOYSA-N
XLogP4.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[4-[(cycloheptylamino)methyl]phenyl]carbamate
CID 107239571
tert-butyl N-[4-[[(3-aminocyclopentyl)amino]methyl]phenyl]carbamate
CID 107239561
tert-butyl N-[4-[(1-cyclobutylethylamino)methyl]phenyl]carbamate
CID 118957337
tert-butyl N-[4-[(piperidin-2-ylmethylamino)methyl]phenyl]carbamate
CID 107239512
N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-[[2-[(cyclohexylamino)methyl]phenyl]methyl]carbamate
CID 103698918
N-[4-[(cyclopropylamino)methyl]phenyl]cyclohexanecarboxamide
CID 106910531
tert-butyl N-[4-[(trifluoromethylamino)methyl]phenyl]carbamate
CID 174812466
N-[(4-tert-butylphenyl)methyl]cycloheptanamine
CID 28509997
4-[(cyclooctylamino)methyl]benzoic acid;hydrochloride
CID 17158513
tert-butyl 3-[[4-(carbamothioylamino)phenyl]methylamino]piperidine-1-carboxylate
CID 169357708

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate (CID 107239611) is tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CNC2CCCCC2)cc1.
What is the InChIKey of tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate?
The InChIKey is BIYRMOWTPXOMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16-11-9-14(10-12-16)13-19-15-7-5-4-6-8-15/h9-12,15,19H,4-8,13H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate?
tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(cyclohexylamino)methyl]phenyl]carbamate is sourced from PubChem (CID 107239611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).