methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate

C16H18N2O2 — CID 16927927

IUPACmethyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
SMILESCOC(=O)NCC(c1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-13(9-7-12)14(11-18-16(19)20-2)15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,18,19)
InChIKeyHMSVGWDHQRCXEI-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.88
Rot. Bonds4

About methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate

methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate (PubChem CID 16927927) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
PubChem CID16927927
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Namemethyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
SMILESCOC(=O)NCC(c1ccc(C)cc1)c1ccccn1
InChIInChI=1S/C16H18N2O2/c1-12-6-8-13(9-7-12)14(11-18-16(19)20-2)15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,18,19)
InChIKeyHMSVGWDHQRCXEI-UHFFFAOYSA-N
XLogP2.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]pentanamide
CID 16927840
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
CID 155128689
N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]oxolane-2-carboxamide
CID 110362898
2-ethyl-N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]butanamide
CID 16928268
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739
3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
CID 110362940
methyl N-(2-phenyl-2-pyridin-4-ylethyl)carbamate
CID 10658734
N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 16928294
N-[(4-methylphenyl)-pyridin-2-ylmethyl]-2-(methylsulfamoyl)acetamide
CID 126799110
N-(2-phenyl-2-pyridin-2-ylethyl)pyridine-3-carboxamide
CID 110362884

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate?
The IUPAC name of methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate (CID 16927927) is methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate is COC(=O)NCC(c1ccc(C)cc1)c1ccccn1.
What is the InChIKey of methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate?
The InChIKey is HMSVGWDHQRCXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-12-6-8-13(9-7-12)14(11-18-16(19)20-2)15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,18,19).
What are the key properties of methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate?
methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate is sourced from PubChem (CID 16927927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).