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

C19H28N2O2 — CID 103936435

IUPACtert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)20-12-13-5-4-6-16(11-13)21-17(14-7-8-14)15-9-10-15/h4-6,11,14-15,17,21H,7-10,12H2,1-3H3,(H,20,22)
InChIKeyOOZOHQKGPZRGPK-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.31
Rot. Bonds6

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

tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate (PubChem CID 103936435) has the molecular formula C19H28N2O2 and a molecular weight of 316.45 g/mol. Its IUPAC name is tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
PubChem CID103936435
Molecular FormulaC19H28N2O2
Molecular Weight316.45 g/mol
Exact Mass316.22
IUPAC Nametert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NC(C2CC2)C2CC2)c1
InChIInChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)20-12-13-5-4-6-16(11-13)21-17(14-7-8-14)15-9-10-15/h4-6,11,14-15,17,21H,7-10,12H2,1-3H3,(H,20,22)
InChIKeyOOZOHQKGPZRGPK-UHFFFAOYSA-N
XLogP4.31
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-[1-(oxolan-3-yl)ethylamino]phenyl]methyl]carbamate
CID 103936437
tert-butyl N-[[3-(heptan-4-ylamino)phenyl]methyl]carbamate
CID 107244673
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
CID 107244633
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(1-methoxypropan-2-ylamino)phenyl]methyl]carbamate
CID 103936425
tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
tert-butyl N-[[3-(2-hydroxypropylamino)phenyl]methyl]carbamate
CID 82539760
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 95302565
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[[3-(1-pyridin-3-ylethylamino)phenyl]methyl]carbamate
CID 113354942
tert-butyl N-[[3-(2,3-dimethylbutan-2-yloxyamino)phenyl]methyl]carbamate
CID 166686967

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate (CID 103936435) is tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(NC(C2CC2)C2CC2)c1.
What is the InChIKey of tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate?
The InChIKey is OOZOHQKGPZRGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)20-12-13-5-4-6-16(11-13)21-17(14-7-8-14)15-9-10-15/h4-6,11,14-15,17,21H,7-10,12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate?
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate has a molecular weight of 316.45 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 103936435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).