N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide

C22H23N3O3 — CID 90515846

IUPACN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)CCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-19-10-8-18(9-11-19)20-15-22(27)25(16-24-20)14-13-23-21(26)12-7-17-5-3-2-4-6-17/h2-6,8-11,15-16H,7,12-14H2,1H3,(H,23,26)
InChIKeyKYUWNLRENTZOIY-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.67
Rot. Bonds8

About N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide

N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide (PubChem CID 90515846) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide
PubChem CID90515846
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide
SMILESCOc1ccc(-c2cc(=O)n(CCNC(=O)CCc3ccccc3)cn2)cc1
InChIInChI=1S/C22H23N3O3/c1-28-19-10-8-18(9-11-19)20-15-22(27)25(16-24-20)14-13-23-21(26)12-7-17-5-3-2-4-6-17/h2-6,8-11,15-16H,7,12-14H2,1H3,(H,23,26)
InChIKeyKYUWNLRENTZOIY-UHFFFAOYSA-N
XLogP2.67
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 121106620
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-phenylbutanamide
CID 121106619
2-(3-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515868
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methylphenoxy)acetamide
CID 90515885
2-(4-fluorophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515745
2-(4-bromophenyl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515797
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
2-(benzimidazol-1-yl)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515924
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 90515855
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(3-methoxyphenoxy)acetamide
CID 121106664
2-(4-acetyl-2-methoxyphenoxy)-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]acetamide
CID 90515853

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide?
The IUPAC name of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide (CID 90515846) is N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide is COc1ccc(-c2cc(=O)n(CCNC(=O)CCc3ccccc3)cn2)cc1.
What is the InChIKey of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide?
The InChIKey is KYUWNLRENTZOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-28-19-10-8-18(9-11-19)20-15-22(27)25(16-24-20)14-13-23-21(26)12-7-17-5-3-2-4-6-17/h2-6,8-11,15-16H,7,12-14H2,1H3,(H,23,26).
What are the key properties of N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide?
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide has a molecular weight of 377.44 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-3-phenylpropanamide is sourced from PubChem (CID 90515846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).