tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate

C18H28N2O2 — CID 23506980

IUPACtert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20(16-7-5-4-6-8-16)13-14-9-11-15(19)12-10-14/h9-12,16H,4-8,13,19H2,1-3H3
InChIKeyQIJYFIKMBCJHHI-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.34
Rot. Bonds3

About tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate

tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate (PubChem CID 23506980) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
PubChem CID23506980
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate
SMILESCC(C)(C)OC(=O)N(Cc1ccc(N)cc1)C1CCCCC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20(16-7-5-4-6-8-16)13-14-9-11-15(19)12-10-14/h9-12,16H,4-8,13,19H2,1-3H3
InChIKeyQIJYFIKMBCJHHI-UHFFFAOYSA-N
XLogP4.34
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 175016181
tert-butyl N-[(4-aminophenyl)methyl]-N-(2,3-dihydro-1H-inden-2-yl)carbamate
CID 59663104
methyl 4-[[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 126676707
tert-butyl N-[[3-amino-4-hydroxy-5-(trifluoromethyl)phenyl]methyl]-N-cyclopentylcarbamate
CID 166557111
tert-butyl N-benzyl-N-piperidin-3-ylcarbamate
CID 54456558
tert-butyl N-[[3-amino-5-(methoxymethyl)phenyl]methyl]-N-cyclopropylcarbamate
CID 69079007
tert-butyl N-[(4-amino-2-chlorophenyl)methyl]-N-cyclopropylcarbamate
CID 69079767
tert-butyl N-[(3-aminophenyl)methyl]-N-piperidin-4-ylcarbamate
CID 69427895
tert-butyl N-cyclobutyl-N-[(4-ethynyl-3-fluorophenyl)methyl]carbamate
CID 154814899
tert-butyl N-[(4-aminophenyl)methyl]-N-propan-2-ylcarbamate
CID 23506958
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
2-iodopropan-2-yl 4-[[(4-hydroxycyclohexyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]benzoate
CID 122649911

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate?
The IUPAC name of tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate (CID 23506980) is tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate.
What is the SMILES notation for tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate?
The canonical SMILES for tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate is CC(C)(C)OC(=O)N(Cc1ccc(N)cc1)C1CCCCC1.
What is the InChIKey of tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate?
The InChIKey is QIJYFIKMBCJHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20(16-7-5-4-6-8-16)13-14-9-11-15(19)12-10-14/h9-12,16H,4-8,13,19H2,1-3H3.
What are the key properties of tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate?
tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate has a molecular weight of 304.43 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-aminophenyl)methyl]-N-cyclohexylcarbamate is sourced from PubChem (CID 23506980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).