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

C17H26N2O2 — CID 107244633

IUPACtert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NCC2CCC2)c1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-8-5-9-15(10-14)18-11-13-6-4-7-13/h5,8-10,13,18H,4,6-7,11-12H2,1-3H3,(H,19,20)
InChIKeyRDLYAXVWYQDLCT-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.92
Rot. Bonds5

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

tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate (PubChem CID 107244633) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
PubChem CID107244633
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1cccc(NCC2CCC2)c1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-8-5-9-15(10-14)18-11-13-6-4-7-13/h5,8-10,13,18H,4,6-7,11-12H2,1-3H3,(H,19,20)
InChIKeyRDLYAXVWYQDLCT-UHFFFAOYSA-N
XLogP3.92
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[3-(cycloheptylamino)phenyl]methyl]carbamate
CID 107244664
tert-butyl N-[[3-(dicyclopropylmethylamino)phenyl]methyl]carbamate
CID 103936435
tert-butyl N-[[3-[(1-methylpiperidin-3-yl)amino]phenyl]methyl]carbamate
CID 107244695
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-[(3-methoxy-3-methylbutyl)amino]phenyl]methyl]carbamate
CID 107244699
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-(oxepan-4-ylamino)phenyl]methyl]carbamate
CID 103936436
tert-butyl N-[[3-(piperidin-3-ylamino)phenyl]methyl]carbamate
CID 107244669
tert-butyl N-[[3-[(3-propan-2-ylcyclobutyl)amino]phenyl]methyl]carbamate
CID 107244643
tert-butyl N-[[3-(3-chloroanilino)phenyl]methyl]carbamate
CID 110452782

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate (CID 107244633) is tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate is CC(C)(C)OC(=O)NCc1cccc(NCC2CCC2)c1.
What is the InChIKey of tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate?
The InChIKey is RDLYAXVWYQDLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-8-5-9-15(10-14)18-11-13-6-4-7-13/h5,8-10,13,18H,4,6-7,11-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate?
tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(cyclobutylmethylamino)phenyl]methyl]carbamate is sourced from PubChem (CID 107244633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).