tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate

C18H32N2O3 — CID 99845922

IUPACtert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
SMILESCN(CC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-16(2,3)23-15(22)20(7)11-14(21)19-13-10-12-8-9-18(13,6)17(12,4)5/h12-13H,8-11H2,1-7H3,(H,19,21)/t12-,13-,18+/m0/s1
InChIKeyVTLNVTXLJIHLIB-ZJNRKIDTSA-N
MW324.47 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate

tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate (PubChem CID 99845922) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
PubChem CID99845922
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Nametert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate
SMILESCN(CC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C18H32N2O3/c1-16(2,3)23-15(22)20(7)11-14(21)19-13-10-12-8-9-18(13,6)17(12,4)5/h12-13H,8-11H2,1-7H3,(H,19,21)/t12-,13-,18+/m0/s1
InChIKeyVTLNVTXLJIHLIB-ZJNRKIDTSA-N
XLogP3.18
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate (CID 99845922) is tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate is CN(CC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
The InChIKey is VTLNVTXLJIHLIB-ZJNRKIDTSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-16(2,3)23-15(22)20(7)11-14(21)19-13-10-12-8-9-18(13,6)17(12,4)5/h12-13H,8-11H2,1-7H3,(H,19,21)/t12-,13-,18+/m0/s1.
What are the key properties of tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate?
tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate has a molecular weight of 324.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[2-oxo-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethyl]carbamate is sourced from PubChem (CID 99845922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).