(3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

C16H18N2O3 — CID 13363617

IUPAC(3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H18N2O3/c1-11-8-9-13(10-12(11)2)21-16(19)18(3)14-6-5-7-15(17-14)20-4/h5-10H,1-4H3
InChIKeyXMCFDBPNVUFHLV-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.34
Rot. Bonds3

About (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

(3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 13363617) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Name(3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
PubChem CID13363617
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc(C)c(C)c2)n1
InChIInChI=1S/C16H18N2O3/c1-11-8-9-13(10-12(11)2)21-16(19)18(3)14-6-5-7-15(17-14)20-4/h5-10H,1-4H3
InChIKeyXMCFDBPNVUFHLV-UHFFFAOYSA-N
XLogP3.34
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (CID 13363617) is (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is COc1cccc(N(C)C(=O)Oc2ccc(C)c(C)c2)n1.
What is the InChIKey of (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is XMCFDBPNVUFHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-8-9-13(10-12(11)2)21-16(19)18(3)14-6-5-7-15(17-14)20-4/h5-10H,1-4H3.
What are the key properties of (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
(3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 286.33 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 13363617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).