3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide

C21H21N5O5 — CID 118716809

IUPAC3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide
SMILESCCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(-c3c[nH]c(=O)[nH]c3=O)c2)cc1
InChIInChI=1S/C21H21N5O5/c1-3-22-20(29)25-15-6-4-14(5-7-15)24-18(27)13-8-12(9-16(10-13)31-2)17-11-23-21(30)26-19(17)28/h4-11H,3H2,1-2H3,(H,24,27)(H2,22,25,29)(H2,23,26,28,30)
InChIKeyZDYHHMHXNVBIAM-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.13
Rot. Bonds6

About 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide

3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide (PubChem CID 118716809) has the molecular formula C21H21N5O5 and a molecular weight of 423.43 g/mol. Its IUPAC name is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide
PubChem CID118716809
Molecular FormulaC21H21N5O5
Molecular Weight423.43 g/mol
Exact Mass423.15
IUPAC Name3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide
SMILESCCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(-c3c[nH]c(=O)[nH]c3=O)c2)cc1
InChIInChI=1S/C21H21N5O5/c1-3-22-20(29)25-15-6-4-14(5-7-15)24-18(27)13-8-12(9-16(10-13)31-2)17-11-23-21(30)26-19(17)28/h4-11H,3H2,1-2H3,(H,24,27)(H2,22,25,29)(H2,23,26,28,30)
InChIKeyZDYHHMHXNVBIAM-UHFFFAOYSA-N
XLogP2.13
TPSA145.18 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl]butanamide
CID 4906475
N-({[4-(dimethylamino)phenyl]amino}carbonothioyl)-3-methoxybenzamide
CID 883668
4-(3-methoxyphenyl)-6-methyl-2-oxo-N-(p-tolyl)-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 4368846
N-(3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl)pentanamide
CID 4870056
N-(3-(3-methoxyphenyl)-1-methyl-4-oxo-1,4-dihydroquinolin-2-yl)acetamide
CID 4907335
N-(4-benzamidophenyl)-3-(2,4-dioxo-1H-pyrimidin-5-yl)-4-hydroxy-5-methoxybenzamide
CID 118716801
N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]piperidine-2-carboxamide
CID 118716808
4-(2,5-dimethoxyphenyl)-6-methyl-N-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CID 2852981
4-(2,5-dimethoxyphenyl)-N-(2,4-dimethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 2908461
4-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 3156015
N-[3-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]benzamide
CID 309841
N-[4-[[5-[(3-ethoxyphenyl)methyl]-2,4-dioxopyrimidin-1-yl]methyl]phenyl]benzamide
CID 309897

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide?
The IUPAC name of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide (CID 118716809) is 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide.
What is the SMILES notation for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide?
The canonical SMILES for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide is CCNC(=O)Nc1ccc(NC(=O)c2cc(OC)cc(-c3c[nH]c(=O)[nH]c3=O)c2)cc1.
What is the InChIKey of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide?
The InChIKey is ZDYHHMHXNVBIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O5/c1-3-22-20(29)25-15-6-4-14(5-7-15)24-18(27)13-8-12(9-16(10-13)31-2)17-11-23-21(30)26-19(17)28/h4-11H,3H2,1-2H3,(H,24,27)(H2,22,25,29)(H2,23,26,28,30).
What are the key properties of 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide?
3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide has a molecular weight of 423.43 g/mol, XLogP of 2.13, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1H-pyrimidin-5-yl)-N-[4-(ethylcarbamoylamino)phenyl]-5-methoxybenzamide is sourced from PubChem (CID 118716809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).