N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide

C20H18N4O4 — CID 3622738

IUPACN-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/N=C(\C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H18N4O4/c1-12(21-15-10-6-7-11-16(15)22-13(2)25)17-18(26)23-20(28)24(19(17)27)14-8-4-3-5-9-14/h3-11,27H,1-2H3,(H,22,25)(H,23,26,28)/b21-12+
InChIKeyMPABIPXQCWDJDZ-CIAFOILYSA-N
MW378.39 g/mol
LogP2.33
Rot. Bonds4

About N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide

N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide (PubChem CID 3622738) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
PubChem CID3622738
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1/N=C(\C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H18N4O4/c1-12(21-15-10-6-7-11-16(15)22-13(2)25)17-18(26)23-20(28)24(19(17)27)14-8-4-3-5-9-14/h3-11,27H,1-2H3,(H,22,25)(H,23,26,28)/b21-12+
InChIKeyMPABIPXQCWDJDZ-CIAFOILYSA-N
XLogP2.33
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-5-[(E)-C-methyl-N-(2-methylanilino)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 135679843
5-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 917399
5-[N-[4-(diethylamino)phenyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 4220139
6-hydroxy-5-[C-methyl-N-(2-phenylethyl)carbonimidoyl]-1-phenylpyrimidine-2,4-dione
CID 4270289
1-(4-chlorophenyl)-6-hydroxy-5-[C-methyl-N-(1-phenylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 3729777
5-[N-[3-(diethylamino)propyl]-C-methylcarbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 3799458
5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxy-1-phenylpyrimidine-2,4-dione
CID 135606705
1-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 5141976
1-[(E)-1-[1-(4-chlorophenyl)-6-hydroxy-2,4-dioxopyrimidin-5-yl]propylideneamino]-3-phenylurea
CID 135822059
2-chloro-N-[(E)-1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)propylideneamino]benzamide
CID 135398908
[1-[6-hydroxy-1-(4-methylphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]urea
CID 5189325
5-[N-(2,4-dimethoxyphenyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
CID 3719384

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The IUPAC name of N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide (CID 3622738) is N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The canonical SMILES for N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide is CC(=O)Nc1ccccc1/N=C(\C)c1c(O)n(-c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The InChIKey is MPABIPXQCWDJDZ-CIAFOILYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-12(21-15-10-6-7-11-16(15)22-13(2)25)17-18(26)23-20(28)24(19(17)27)14-8-4-3-5-9-14/h3-11,27H,1-2H3,(H,22,25)(H,23,26,28)/b21-12+.
What are the key properties of N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide has a molecular weight of 378.39 g/mol, XLogP of 2.33, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(6-hydroxy-2,4-dioxo-1-phenylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide is sourced from PubChem (CID 3622738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).