tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate

C19H30N2O2 — CID 107244664

IUPACtert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)20-14-15-9-8-12-17(13-15)21-16-10-6-4-5-7-11-16/h8-9,12-13,16,21H,4-7,10-11,14H2,1-3H3,(H,20,22)
InChIKeyAUEWEBCCIZITBF-UHFFFAOYSA-N
MW318.46 g/mol
LogP4.85
Rot. Bonds4

About tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate

tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate (PubChem CID 107244664) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
PubChem CID107244664
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NC2CCCCCC2)c1
InChIInChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)20-14-15-9-8-12-17(13-15)21-16-10-6-4-5-7-11-16/h8-9,12-13,16,21H,4-7,10-11,14H2,1-3H3,(H,20,22)
InChIKeyAUEWEBCCIZITBF-UHFFFAOYSA-N
XLogP4.85
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-(oxepan-4-ylamino)phenyl]methyl]carbamate
CID 103936436
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
CID 107244669
tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate
CID 107244695
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
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tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[4-(3-ethylanilino)cyclohexyl]carbamate
CID 103715367
tert-butyl N-[3-[[3-[(2-cyclopentylacetyl)amino]phenyl]methylamino]-3-oxopropyl]carbamate
CID 108921459
tert-butyl N-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 95302565
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
CID 166686967
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate (CID 107244664) is tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(NC2CCCCCC2)c1.
What is the InChIKey of tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate?
The InChIKey is AUEWEBCCIZITBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-19(2,3)23-18(22)20-14-15-9-8-12-17(13-15)21-16-10-6-4-5-7-11-16/h8-9,12-13,16,21H,4-7,10-11,14H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate?
tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate has a molecular weight of 318.46 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107244664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).