tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate

C19H30N2O2 — CID 107240302

IUPACtert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NCCC1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-17-12-8-7-11-16(17)20-14-13-15-9-5-4-6-10-15/h7-8,11-12,15,20H,4-6,9-10,13-14H2,1-3H3,(H,21,22)
InChIKeyUDTJYWNURORCSR-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.42
Rot. Bonds5

About tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate

tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate (PubChem CID 107240302) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
PubChem CID107240302
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NCCC1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-17-12-8-7-11-16(17)20-14-13-15-9-5-4-6-10-15/h7-8,11-12,15,20H,4-6,9-10,13-14H2,1-3H3,(H,21,22)
InChIKeyUDTJYWNURORCSR-UHFFFAOYSA-N
XLogP5.42
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
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tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060
tert-butyl N-[2-(2-methylpropylamino)phenyl]carbamate
CID 102449138
tert-butyl N-[2-(3-ethylsulfanylpropylamino)phenyl]carbamate
CID 107240372
tert-butyl N-[2-[2-(cyclopentanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917443
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[2-(3,4-dihydro-2H-pyran-2-ylmethylamino)phenyl]carbamate
CID 107240161
[2-(2-cyclopentylethylamino)phenyl]methanol
CID 54856692
tert-butyl N-[2-[2-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]carbamate
CID 108917369

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate (CID 107240302) is tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NCCC1CCCCC1.
What is the InChIKey of tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate?
The InChIKey is UDTJYWNURORCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)21-17-12-8-7-11-16(17)20-14-13-15-9-5-4-6-10-15/h7-8,11-12,15,20H,4-6,9-10,13-14H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate?
tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 5.42, 5 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-cyclohexylethylamino)phenyl]carbamate is sourced from PubChem (CID 107240302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).