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

C17H18N4O4 — CID 937012

IUPACN-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
SMILESC=CCn1c(O)c(/C(C)=N/c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18N4O4/c1-4-9-21-16(24)14(15(23)20-17(21)25)10(2)18-12-5-7-13(8-6-12)19-11(3)22/h4-8,24H,1,9H2,2-3H3,(H,19,22)(H,20,23,25)/b18-10+
InChIKeyFHFUUTMTMPIHBN-VCHYOVAHSA-N
MW342.36 g/mol
LogP1.53
Rot. Bonds5

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

N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide (PubChem CID 937012) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
PubChem CID937012
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC NameN-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide
SMILESC=CCn1c(O)c(/C(C)=N/c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C17H18N4O4/c1-4-9-21-16(24)14(15(23)20-17(21)25)10(2)18-12-5-7-13(8-6-12)19-11(3)22/h4-8,24H,1,9H2,2-3H3,(H,19,22)(H,20,23,25)/b18-10+
InChIKeyFHFUUTMTMPIHBN-VCHYOVAHSA-N
XLogP1.53
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-Diethylamino-phenylamino)-methylene]-pyrimidine-2,4,6-trione
CID 352290
(5E)-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxy-3-methylpyrimidine-2,4(3H,5H)-dione
CID 1612121
5-{1-[(2-aminophenyl)amino]ethylidene}-1-methyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2839918
(5E)-5-[1-[4-(dimethylamino)anilino]propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 4529300
5-[[4-(Diethylamino)anilino]methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 659624
(5Z)-3-butyl-5-{[(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 659631
(5Z)-1-[2-(cyclohexen-1-yl)ethyl]-5-[[4-(dimethylamino)anilino]methylidene]-1,3-diazinane-2,4,6-trione
CID 662574
(E)-1-allyl-5-(1-((4-(dimethylamino)phenyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 1405560
(5Z)-5-[[4-(diethylamino)anilino]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
CID 1967839
5-[[4-(Diethylamino)anilino]methylidene]-1-(phenylmethyl)-1,3-diazinane-2,4,6-trione
CID 3368525
(5E)-5-[[4-(diethylamino)anilino]methylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3381553
(E)-N-(2-((1-(1-allyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)propyl)amino)phenyl)acetamide
CID 3741233

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide (CID 937012) is N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide is C=CCn1c(O)c(/C(C)=N/c2ccc(NC(C)=O)cc2)c(=O)[nH]c1=O.
What is the InChIKey of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
The InChIKey is FHFUUTMTMPIHBN-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-4-9-21-16(24)14(15(23)20-17(21)25)10(2)18-12-5-7-13(8-6-12)19-11(3)22/h4-8,24H,1,9H2,2-3H3,(H,19,22)(H,20,23,25)/b18-10+.
What are the key properties of N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide?
N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide has a molecular weight of 342.36 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(6-hydroxy-2,4-dioxo-1-prop-2-enylpyrimidin-5-yl)ethylideneamino]phenyl]acetamide is sourced from PubChem (CID 937012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).