methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate

C15H16N2O2 — CID 10658734

IUPACmethyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
SMILESCOC(=O)NCC(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)17-11-14(12-5-3-2-4-6-12)13-7-9-16-10-8-13/h2-10,14H,11H2,1H3,(H,17,18)
InChIKeyCEEPSQPAUWXQFZ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.57
Rot. Bonds4

About methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate

methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate (PubChem CID 10658734) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
PubChem CID10658734
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Namemethyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
SMILESCOC(=O)NCC(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H16N2O2/c1-19-15(18)17-11-14(12-5-3-2-4-6-12)13-7-9-16-10-8-13/h2-10,14H,11H2,1H3,(H,17,18)
InChIKeyCEEPSQPAUWXQFZ-UHFFFAOYSA-N
XLogP2.57
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2R)-2-phenyl-2-pyridazin-4-ylethyl]carbamate
CID 129409429
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
methyl N-[(2R)-2-(1,5-dimethylpyrazol-4-yl)-2-phenylethyl]carbamate
CID 171489198
methyl N-[2-(5-methoxy-1-methylpyrazol-4-yl)-2-phenylethyl]carbamate
CID 177221814
(3S)-3-phenyl-3-pyridin-4-ylpropan-1-ol
CID 26792906
1-(2,2-diphenylethyl)-3-ethylurea
CID 47133841
N-methyl-2,2-dipyridin-4-ylethanamine
CID 116824958
methyl N-[(3R)-3-hydroxy-3-phenylpropyl]carbamate
CID 58297917
tert-butyl N-[(2R)-2-hydroxy-2-pyridin-4-ylethyl]carbamate
CID 129375181
methyl 2-(2,2-diphenylethylcarbamoylamino)propanoate
CID 3493714
1-(2,2-diphenylethyl)-3-(2-hydroxy-3-methoxypropyl)urea
CID 111426647

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate?
The IUPAC name of methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate (CID 10658734) is methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate.
What is the SMILES notation for methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate?
The canonical SMILES for methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate is COC(=O)NCC(c1ccccc1)c1ccncc1.
What is the InChIKey of methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate?
The InChIKey is CEEPSQPAUWXQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-19-15(18)17-11-14(12-5-3-2-4-6-12)13-7-9-16-10-8-13/h2-10,14H,11H2,1H3,(H,17,18).
What are the key properties of methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate?
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate has a molecular weight of 256.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate is sourced from PubChem (CID 10658734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).