N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide

C20H23N3O3 — CID 35755059

IUPACN-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide
SMILESCCOc1ccc(N2CCCN=C2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-3-26-18-11-7-16(8-12-18)23-14-4-13-21-20(23)22-19(24)15-5-9-17(25-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,22,24)
InChIKeyCPIRULLOWTVBRD-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.09
Rot. Bonds5

About N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide

N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide (PubChem CID 35755059) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide
PubChem CID35755059
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide
SMILESCCOc1ccc(N2CCCN=C2NC(=O)c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-3-26-18-11-7-16(8-12-18)23-14-4-13-21-20(23)22-19(24)15-5-9-17(25-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,22,24)
InChIKeyCPIRULLOWTVBRD-UHFFFAOYSA-N
XLogP3.09
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide (CID 35755059) is N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide is CCOc1ccc(N2CCCN=C2NC(=O)c2ccc(OC)cc2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide?
The InChIKey is CPIRULLOWTVBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-18-11-7-16(8-12-18)23-14-4-13-21-20(23)22-19(24)15-5-9-17(25-2)10-6-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide?
N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide has a molecular weight of 353.42 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 35755059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).