tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate

C19H30N2O2 — CID 107240249

IUPACtert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
SMILESCC1CCC(C)C(Nc2ccccc2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H30N2O2/c1-13-10-11-14(2)17(12-13)20-15-8-6-7-9-16(15)21-18(22)23-19(3,4)5/h6-9,13-14,17,20H,10-12H2,1-5H3,(H,21,22)
InChIKeyXZQIPRSAKCSXGX-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.27
Rot. Bonds3

About tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate

tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate (PubChem CID 107240249) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
PubChem CID107240249
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
SMILESCC1CCC(C)C(Nc2ccccc2NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C19H30N2O2/c1-13-10-11-14(2)17(12-13)20-15-8-6-7-9-16(15)21-18(22)23-19(3,4)5/h6-9,13-14,17,20H,10-12H2,1-5H3,(H,21,22)
InChIKeyXZQIPRSAKCSXGX-UHFFFAOYSA-N
XLogP5.27
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 ≤ 55.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
CID 107240278
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
CID 107240241
ethyl 2-[(2,5-dimethylcyclohexyl)amino]benzoate
CID 64761186
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
CID 107240302
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362
tert-butyl N-[(1S,2R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 147823872
tert-butyl N-[2-(prop-1-enylamino)phenyl]carbamate
CID 150343828
tert-butyl N-[4-[[(2,5-dimethylcyclohexyl)amino]methyl]-1H-pyrazol-5-yl]carbamate
CID 107256093

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate (CID 107240249) is tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate is CC1CCC(C)C(Nc2ccccc2NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate?
The InChIKey is XZQIPRSAKCSXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-13-10-11-14(2)17(12-13)20-15-8-6-7-9-16(15)21-18(22)23-19(3,4)5/h6-9,13-14,17,20H,10-12H2,1-5H3,(H,21,22).
What are the key properties of tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate?
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 5.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate is sourced from PubChem (CID 107240249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).