ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate

C24H27N3O5 — CID 2962610

IUPACethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H27N3O5/c1-5-31-23(29)16(4)32-18-12-10-17(11-13-18)21-20(15(3)25-24(30)27-21)22(28)26-19-9-7-6-8-14(19)2/h6-13,16,21H,5H2,1-4H3,(H,26,28)(H2,25,27,30)
InChIKeyPBDIOUHECIALBJ-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.59
Rot. Bonds7

About ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate

ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate (PubChem CID 2962610) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate
PubChem CID2962610
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate
SMILESCCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C24H27N3O5/c1-5-31-23(29)16(4)32-18-12-10-17(11-13-18)21-20(15(3)25-24(30)27-21)22(28)26-19-9-7-6-8-14(19)2/h6-13,16,21H,5H2,1-4H3,(H,26,28)(H2,25,27,30)
InChIKeyPBDIOUHECIALBJ-UHFFFAOYSA-N
XLogP3.59
TPSA105.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate?
The IUPAC name of ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate (CID 2962610) is ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate.
What is the SMILES notation for ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate?
The canonical SMILES for ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate is CCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc1.
What is the InChIKey of ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate?
The InChIKey is PBDIOUHECIALBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-5-31-23(29)16(4)32-18-12-10-17(11-13-18)21-20(15(3)25-24(30)27-21)22(28)26-19-9-7-6-8-14(19)2/h6-13,16,21H,5H2,1-4H3,(H,26,28)(H2,25,27,30).
What are the key properties of ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate?
ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate has a molecular weight of 437.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[6-methyl-5-[(2-methylphenyl)carbamoyl]-2-oxo-3,4-dihydro-1H-pyrimidin-4-yl]phenoxy]propanoate is sourced from PubChem (CID 2962610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).