benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate

C19H28N2O2 — CID 46877990

IUPACbenzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate
SMILESCN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-20(19(22)23-15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18+/m1/s1
InChIKeyLVJYNEMJRPWCNI-MSOLQXFVSA-N
MW316.44 g/mol
LogP3.66
Rot. Bonds4

About benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate

benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate (PubChem CID 46877990) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate.

Molecular Properties

Compound Namebenzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate
PubChem CID46877990
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Namebenzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate
SMILESCN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1N1CCCC1
InChIInChI=1S/C19H28N2O2/c1-20(19(22)23-15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18+/m1/s1
InChIKeyLVJYNEMJRPWCNI-MSOLQXFVSA-N
XLogP3.66
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate?
The IUPAC name of benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate (CID 46877990) is benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate.
What is the SMILES notation for benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate?
The canonical SMILES for benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate is CN(C(=O)OCc1ccccc1)[C@@H]1CCCC[C@@H]1N1CCCC1.
What is the InChIKey of benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate?
The InChIKey is LVJYNEMJRPWCNI-MSOLQXFVSA-N. The full InChI is InChI=1S/C19H28N2O2/c1-20(19(22)23-15-16-9-3-2-4-10-16)17-11-5-6-12-18(17)21-13-7-8-14-21/h2-4,9-10,17-18H,5-8,11-15H2,1H3/t17-,18+/m1/s1.
What are the key properties of benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate?
benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate has a molecular weight of 316.44 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-methyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]carbamate is sourced from PubChem (CID 46877990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).