2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide

C22H30N4O4 — CID 90492184

IUPAC2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
SMILESCOc1cc(C)ccc1OC(C)C(=O)NCCOc1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C22H30N4O4/c1-15-7-8-18(19(13-15)28-4)30-16(2)22(27)23-9-12-29-21-14-20(24-17(3)25-21)26-10-5-6-11-26/h7-8,13-14,16H,5-6,9-12H2,1-4H3,(H,23,27)
InChIKeyMVJMDQAESSFTCI-UHFFFAOYSA-N
MW414.51 g/mol
LogP2.66
Rot. Bonds9

About 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide

2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide (PubChem CID 90492184) has the molecular formula C22H30N4O4 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
PubChem CID90492184
Molecular FormulaC22H30N4O4
Molecular Weight414.51 g/mol
Exact Mass414.23
IUPAC Name2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
SMILESCOc1cc(C)ccc1OC(C)C(=O)NCCOc1cc(N2CCCC2)nc(C)n1
InChIInChI=1S/C22H30N4O4/c1-15-7-8-18(19(13-15)28-4)30-16(2)22(27)23-9-12-29-21-14-20(24-17(3)25-21)26-10-5-6-11-26/h7-8,13-14,16H,5-6,9-12H2,1-4H3,(H,23,27)
InChIKeyMVJMDQAESSFTCI-UHFFFAOYSA-N
XLogP2.66
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,5-dimethylphenoxy)-N-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide
CID 51868113
2-methoxy-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492269
2-(4-methoxyphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492141
2-methoxy-4-methyl-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzenesulfonamide
CID 90492477
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]cyclobutanecarboxamide
CID 90492360
2-(3-methylphenyl)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90492143
2,4-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491866
2,3-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491865
4,5-dimethoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-2-nitrobenzamide
CID 90491868
4-acetamido-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90492069
N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]pyridine-2-carboxamide
CID 90492267
7-methoxy-N-[2-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)oxyethyl]-1-benzofuran-2-carboxamide
CID 90492054

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide?
The IUPAC name of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide (CID 90492184) is 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide.
What is the SMILES notation for 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide?
The canonical SMILES for 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide is COc1cc(C)ccc1OC(C)C(=O)NCCOc1cc(N2CCCC2)nc(C)n1.
What is the InChIKey of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide?
The InChIKey is MVJMDQAESSFTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O4/c1-15-7-8-18(19(13-15)28-4)30-16(2)22(27)23-9-12-29-21-14-20(24-17(3)25-21)26-10-5-6-11-26/h7-8,13-14,16H,5-6,9-12H2,1-4H3,(H,23,27).
What are the key properties of 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide?
2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide has a molecular weight of 414.51 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenoxy)-N-[2-(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)oxyethyl]propanamide is sourced from PubChem (CID 90492184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).