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

C18H28N2O2 — CID 107240278

IUPACtert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16-13-9-8-12-15(16)19-14-10-6-4-5-7-11-14/h8-9,12-14,19H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyDVIWTOSPCXAMNJ-UHFFFAOYSA-N
MW304.43 g/mol
LogP5.17
Rot. Bonds3

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

tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate (PubChem CID 107240278) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
PubChem CID107240278
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nametert-butyl N-[2-(cycloheptylamino)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccccc1NC1CCCCCC1
InChIInChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16-13-9-8-12-15(16)19-14-10-6-4-5-7-11-14/h8-9,12-14,19H,4-7,10-11H2,1-3H3,(H,20,21)
InChIKeyDVIWTOSPCXAMNJ-UHFFFAOYSA-N
XLogP5.17
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.43
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[2-(piperidin-4-ylamino)phenyl]carbamate
CID 107240213
tert-butyl N-[2-(cycloheptylmethylamino)phenyl]carbamate
CID 107240333
tert-butyl N-[2-(thiolan-3-ylamino)phenyl]carbamate
CID 107240241
tert-butyl N-[2-(2-cyclohexylethylamino)phenyl]carbamate
CID 107240302
tert-butyl N-[5-(cyclohexylamino)-2-fluorophenyl]carbamate
CID 107240679
tert-butyl N-[2-[(2,5-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107240249
tert-butyl N-[4-(2-hydroxyanilino)cyclohexyl]carbamate
CID 90064993
tert-butyl N-[6-(cycloheptylamino)-3-pyridinyl]carbamate
CID 113014947
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-[[2-(cyclopropylamino)phenyl]methyl]carbamate
CID 107247266
tert-butyl N-(2-piperidin-2-ylphenyl)carbamate
CID 45357060
tert-butyl N-[2-(oxan-4-ylmethylamino)phenyl]carbamate
CID 107240362

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate (CID 107240278) is tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccccc1NC1CCCCCC1.
What is the InChIKey of tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate?
The InChIKey is DVIWTOSPCXAMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-18(2,3)22-17(21)20-16-13-9-8-12-15(16)19-14-10-6-4-5-7-11-14/h8-9,12-14,19H,4-7,10-11H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate?
tert-butyl N-[2-(cycloheptylamino)phenyl]carbamate has a molecular weight of 304.43 g/mol, XLogP of 5.17, 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-(cycloheptylamino)phenyl]carbamate is sourced from PubChem (CID 107240278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).