dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

C24H32N2O7 — CID 11684022

IUPACdimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C24H32N2O7/c1-15-20(23(27)30-4)22(21(16(2)25-15)24(28)31-5)17-6-7-18(19(14-17)29-3)33-13-10-26-8-11-32-12-9-26/h6-7,14,22,25H,8-13H2,1-5H3
InChIKeySRUJXAFHHWIGCM-UHFFFAOYSA-N
MW460.53 g/mol
LogP1.99
Rot. Bonds8

About dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (PubChem CID 11684022) has the molecular formula C24H32N2O7 and a molecular weight of 460.53 g/mol. Its IUPAC name is dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
PubChem CID11684022
Molecular FormulaC24H32N2O7
Molecular Weight460.53 g/mol
Exact Mass460.22
IUPAC Namedimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
SMILESCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCCN2CCOCC2)c(OC)c1
InChIInChI=1S/C24H32N2O7/c1-15-20(23(27)30-4)22(21(16(2)25-15)24(28)31-5)17-6-7-18(19(14-17)29-3)33-13-10-26-8-11-32-12-9-26/h6-7,14,22,25H,8-13H2,1-5H3
InChIKeySRUJXAFHHWIGCM-UHFFFAOYSA-N
XLogP1.99
TPSA95.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate with MolForge

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Related Compounds

dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrate
CID 51056928
methyl 4-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2864677
methyl (4R)-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7108688
methyl 2-amino-3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]propanoate
CID 170884349
N-ethyl-3-methoxy-4-(2-morpholin-4-ylethoxy)benzamide
CID 166767320
(7S)-7-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,5-dimethyl-4,7-dihydro-[1,3]oxazolo[5,4-b]pyridine-6-carbonitrile
CID 1261422
methyl 3,5-dimethoxy-4-(2-morpholin-4-ylethoxy)benzoate
CID 58976806
hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
ethyl 3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]prop-2-enoate
CID 69299982
dimethyl 4-(4-methoxy-3-phenylmethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 4607750
[[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylideneamino]urea
CID 168532539

Frequently Asked Questions

What is the IUPAC name of dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The IUPAC name of dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate (CID 11684022) is dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
What is the SMILES notation for dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The canonical SMILES for dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(OCCN2CCOCC2)c(OC)c1.
What is the InChIKey of dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
The InChIKey is SRUJXAFHHWIGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O7/c1-15-20(23(27)30-4)22(21(16(2)25-15)24(28)31-5)17-6-7-18(19(14-17)29-3)33-13-10-26-8-11-32-12-9-26/h6-7,14,22,25H,8-13H2,1-5H3.
What are the key properties of dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate?
dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate has a molecular weight of 460.53 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate is sourced from PubChem (CID 11684022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).