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

C16H18N2O3 — CID 16928325

IUPACmethyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
SMILESCOC(=O)NCC(c1ccc(OC)cc1)c1ccccn1
InChIInChI=1S/C16H18N2O3/c1-20-13-8-6-12(7-9-13)14(11-18-16(19)21-2)15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,18,19)
InChIKeyQTCFTZDMVSUHQE-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.58
Rot. Bonds5

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

methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate (PubChem CID 16928325) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
PubChem CID16928325
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namemethyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
SMILESCOC(=O)NCC(c1ccc(OC)cc1)c1ccccn1
InChIInChI=1S/C16H18N2O3/c1-20-13-8-6-12(7-9-13)14(11-18-16(19)21-2)15-5-3-4-10-17-15/h3-10,14H,11H2,1-2H3,(H,18,19)
InChIKeyQTCFTZDMVSUHQE-UHFFFAOYSA-N
XLogP2.58
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[2-(4-methylphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16927927
2-ethyl-N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]butanamide
CID 16928268
N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]thiophene-2-carboxamide
CID 16928294
N-(2-phenyl-2-pyridin-2-ylethyl)acetamide
CID 16927789
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
N-[2-(dimethylamino)ethyl]-2-(4-methoxyphenyl)-2-pyridin-2-ylacetamide
CID 110373640
2-(4-methoxyphenyl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 42907688
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739
[2-(4-chlorophenyl)-2-pyridin-2-ylethyl]carbamic acid
CID 155128689
N-(4-methoxyphenyl)-2-phenyl-2-pyridin-2-ylacetamide
CID 110373398
(3S)-3-(4-methoxyphenyl)-3-phenyl-N-(pyridin-2-ylmethyl)propanamide
CID 26404777
3-[2-(4-fluorophenyl)-2-pyridin-2-ylethyl]-1,1-dimethylurea
CID 110362940

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate?
The IUPAC name of methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate (CID 16928325) is methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate.
What is the SMILES notation for methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate?
The canonical SMILES for methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate is COC(=O)NCC(c1ccc(OC)cc1)c1ccccn1.
What is the InChIKey of methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate?
The InChIKey is QTCFTZDMVSUHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-20-13-8-6-12(7-9-13)14(11-18-16(19)21-2)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-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate?
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate is sourced from PubChem (CID 16928325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).