N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide

C22H23N3O4 — CID 135601891

IUPACN-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C22H23N3O4/c1-2-29-17-11-7-6-10-16(17)14-23-21(27)19-20(26)22(28)25-18(24-19)13-12-15-8-4-3-5-9-15/h3-11,26H,2,12-14H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyOXAUURYHCCGGBF-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.59
Rot. Bonds8

About N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide

N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide (PubChem CID 135601891) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide
PubChem CID135601891
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide
SMILESCCOc1ccccc1CNC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O
InChIInChI=1S/C22H23N3O4/c1-2-29-17-11-7-6-10-16(17)14-23-21(27)19-20(26)22(28)25-18(24-19)13-12-15-8-4-3-5-9-15/h3-11,26H,2,12-14H2,1H3,(H,23,27)(H,24,25,28)
InChIKeyOXAUURYHCCGGBF-UHFFFAOYSA-N
XLogP2.59
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3,4-dimethoxyphenyl)methyl]-N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601617
N-(1,3-benzodioxol-5-ylmethyl)-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide
CID 135971614
N-[(2,3-dimethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(phenoxymethyl)-1H-pyrimidine-4-carboxamide
CID 135971582
N-[(2-ethoxyphenyl)methyl]furan-2-carboxamide
CID 28635209
2-benzyl-N-[(3-fluorophenyl)methyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxamide
CID 135601654
N-[(2-ethoxyphenyl)methyl]-2-(4-methoxyphenyl)acetamide
CID 38009470
3,4-diethoxy-N-[(2-ethoxyphenyl)methyl]benzamide
CID 71822422
N-[(2-ethoxyphenyl)methyl]-4-[4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-yl]benzamide
CID 43915352
N-[(2-ethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 53285925
2-amino-N-[(2-ethoxyphenyl)methyl]benzamide
CID 134085720
N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide
CID 47367776
N-[(2-ethoxyphenyl)methyl]-11-oxopyrido[2,1-b]quinazoline-6-carboxamide
CID 46857811

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide (CID 135601891) is N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide is CCOc1ccccc1CNC(=O)c1nc(CCc2ccccc2)[nH]c(=O)c1O.
What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide?
The InChIKey is OXAUURYHCCGGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-2-29-17-11-7-6-10-16(17)14-23-21(27)19-20(26)22(28)25-18(24-19)13-12-15-8-4-3-5-9-15/h3-11,26H,2,12-14H2,1H3,(H,23,27)(H,24,25,28).
What are the key properties of N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide?
N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxyphenyl)methyl]-5-hydroxy-6-oxo-2-(2-phenylethyl)-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 135601891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).