(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate

C18H22N2O4 — CID 24851364

IUPAC(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(OC)cc(OC)c1-c1ccncc1
InChIInChI=1S/C18H22N2O4/c1-5-20(6-2)18(21)24-16-12-14(22-3)11-15(23-4)17(16)13-7-9-19-10-8-13/h7-12H,5-6H2,1-4H3
InChIKeyWPVJHGLRMMTHQB-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.61
Rot. Bonds6

About (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate

(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate (PubChem CID 24851364) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate
PubChem CID24851364
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(OC)cc(OC)c1-c1ccncc1
InChIInChI=1S/C18H22N2O4/c1-5-20(6-2)18(21)24-16-12-14(22-3)11-15(23-4)17(16)13-7-9-19-10-8-13/h7-12H,5-6H2,1-4H3
InChIKeyWPVJHGLRMMTHQB-UHFFFAOYSA-N
XLogP3.61
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(diethylcarbamoyloxy)pyridine-4-carboxylate
CID 58826959
4-(2,6-dimethoxy-4-pentylphenyl)pyridine
CID 178159447
N,N-diethyl-3,5-dimethoxy-2-methylbenzamide
CID 12637452
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110784320
(2,6-dichloro-3-pyridinyl) N,N-diethylcarbamate
CID 57052459
2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
dimethyl 1-chloro-6-ethoxy-7-methoxy-4-pyridin-4-ylnaphthalene-2,3-dicarboxylate
CID 140974219
[4-(3,5-difluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085411
N-ethyl-3,4-dimethoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6470450
methyl (E)-3-[2-(diethylcarbamoyloxy)-5-methoxyphenyl]prop-2-enoate
CID 71604823
[4-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethoxyphenyl)methyl]indol-5-yl] N,N-diethylcarbamate
CID 46085416
[4-benzoyl-3-(diethylcarbamoyloxy)phenyl] N,N-diethylcarbamate
CID 163320636

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate?
The IUPAC name of (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate (CID 24851364) is (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate.
What is the SMILES notation for (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate?
The canonical SMILES for (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(OC)cc(OC)c1-c1ccncc1.
What is the InChIKey of (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate?
The InChIKey is WPVJHGLRMMTHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-5-20(6-2)18(21)24-16-12-14(22-3)11-15(23-4)17(16)13-7-9-19-10-8-13/h7-12H,5-6H2,1-4H3.
What are the key properties of (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate?
(3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate has a molecular weight of 330.38 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-2-pyridin-4-ylphenyl) N,N-diethylcarbamate is sourced from PubChem (CID 24851364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).