methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate

C20H23NO3 — CID 95989789

IUPACmethyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate
SMILESCOC(=O)N(C)[C@H](c1cccc2ccccc12)[C@H]1CCCCC1=O
InChIInChI=1S/C20H23NO3/c1-21(20(23)24-2)19(17-11-5-6-13-18(17)22)16-12-7-9-14-8-3-4-10-15(14)16/h3-4,7-10,12,17,19H,5-6,11,13H2,1-2H3/t17-,19+/m0/s1
InChIKeyGHFGJVQXQCUTJI-PKOBYXMFSA-N
MW325.41 g/mol
LogP4.34
Rot. Bonds3

About methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate

methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate (PubChem CID 95989789) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate
PubChem CID95989789
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Namemethyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate
SMILESCOC(=O)N(C)[C@H](c1cccc2ccccc12)[C@H]1CCCCC1=O
InChIInChI=1S/C20H23NO3/c1-21(20(23)24-2)19(17-11-5-6-13-18(17)22)16-12-7-9-14-8-3-4-10-15(14)16/h3-4,7-10,12,17,19H,5-6,11,13H2,1-2H3/t17-,19+/m0/s1
InChIKeyGHFGJVQXQCUTJI-PKOBYXMFSA-N
XLogP4.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate?
The IUPAC name of methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate (CID 95989789) is methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate.
What is the SMILES notation for methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate?
The canonical SMILES for methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate is COC(=O)N(C)[C@H](c1cccc2ccccc12)[C@H]1CCCCC1=O.
What is the InChIKey of methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate?
The InChIKey is GHFGJVQXQCUTJI-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H23NO3/c1-21(20(23)24-2)19(17-11-5-6-13-18(17)22)16-12-7-9-14-8-3-4-10-15(14)16/h3-4,7-10,12,17,19H,5-6,11,13H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate?
methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate has a molecular weight of 325.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-methyl-N-[(S)-naphthalen-1-yl-[(1R)-2-oxocyclohexyl]methyl]carbamate is sourced from PubChem (CID 95989789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).