N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide

C20H23N3O2 — CID 35755033

IUPACN-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(N2CCCN=C2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-3-25-18-10-8-17(9-11-18)23-13-5-12-21-20(23)22-19(24)16-7-4-6-15(2)14-16/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,22,24)
InChIKeyGTAFWKGWRUGSSE-UHFFFAOYSA-N
MW337.42 g/mol
LogP3.39
Rot. Bonds4

About N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide

N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide (PubChem CID 35755033) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide
PubChem CID35755033
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide
SMILESCCOc1ccc(N2CCCN=C2NC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C20H23N3O2/c1-3-25-18-10-8-17(9-11-18)23-13-5-12-21-20(23)22-19(24)16-7-4-6-15(2)14-16/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,22,24)
InChIKeyGTAFWKGWRUGSSE-UHFFFAOYSA-N
XLogP3.39
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide (CID 35755033) is N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide is CCOc1ccc(N2CCCN=C2NC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide?
The InChIKey is GTAFWKGWRUGSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-25-18-10-8-17(9-11-18)23-13-5-12-21-20(23)22-19(24)16-7-4-6-15(2)14-16/h4,6-11,14H,3,5,12-13H2,1-2H3,(H,21,22,24).
What are the key properties of N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide?
N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide has a molecular weight of 337.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethoxyphenyl)-5,6-dihydro-4H-pyrimidin-2-yl]-3-methylbenzamide is sourced from PubChem (CID 35755033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).