(4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

C19H24N2O3 — CID 13363638

IUPAC(4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc(C(C)(C)C)c(C)c2)n1
InChIInChI=1S/C19H24N2O3/c1-13-12-14(10-11-15(13)19(2,3)4)24-18(22)21(5)16-8-7-9-17(20-16)23-6/h7-12H,1-6H3
InChIKeySEHJVISHLFTLEE-UHFFFAOYSA-N
MW328.41 g/mol
LogP4.33
Rot. Bonds3

About (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate

(4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (PubChem CID 13363638) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.

Molecular Properties

Compound Name(4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
PubChem CID13363638
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate
SMILESCOc1cccc(N(C)C(=O)Oc2ccc(C(C)(C)C)c(C)c2)n1
InChIInChI=1S/C19H24N2O3/c1-13-12-14(10-11-15(13)19(2,3)4)24-18(22)21(5)16-8-7-9-17(20-16)23-6/h7-12H,1-6H3
InChIKeySEHJVISHLFTLEE-UHFFFAOYSA-N
XLogP4.33
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The IUPAC name of (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate (CID 13363638) is (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate.
What is the SMILES notation for (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The canonical SMILES for (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is COc1cccc(N(C)C(=O)Oc2ccc(C(C)(C)C)c(C)c2)n1.
What is the InChIKey of (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
The InChIKey is SEHJVISHLFTLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-13-12-14(10-11-15(13)19(2,3)4)24-18(22)21(5)16-8-7-9-17(20-16)23-6/h7-12H,1-6H3.
What are the key properties of (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate?
(4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate has a molecular weight of 328.41 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butyl-3-methylphenyl) N-(6-methoxy-2-pyridinyl)-N-methylcarbamate is sourced from PubChem (CID 13363638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).