N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

C17H22N4O3 — CID 35569669

IUPACN-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H22N4O3/c1-3-20(4-2)14-7-5-13(6-8-14)18-15(22)9-11-21-12-10-16(23)19-17(21)24/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,18,22)(H,19,23,24)
InChIKeyPVZWWYALFBHQRZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.41
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide

N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (PubChem CID 35569669) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
PubChem CID35569669
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
SMILESCCN(CC)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C17H22N4O3/c1-3-20(4-2)14-7-5-13(6-8-14)18-15(22)9-11-21-12-10-16(23)19-17(21)24/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,18,22)(H,19,23,24)
InChIKeyPVZWWYALFBHQRZ-UHFFFAOYSA-N
XLogP1.41
TPSA87.20 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxyphenyl)propanamide
CID 108788631
2-(diethylamino)ethyl 4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788712
N-[2-(diethylamino)ethyl]-4-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzamide
CID 108788763
3-(2,4-dioxopyrimidin-1-yl)-N-(4-hydroxy-2-methylphenyl)propanamide
CID 108788652
N-(4,6-dimethylpyrimidin-2-yl)-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801533
3-(2,4-dioxopyrimidin-1-yl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 108801580
3-(2,4-dioxopyrimidin-1-yl)-N-(2,4,6-trichlorophenyl)propanamide
CID 108788791
ethyl 2-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]benzoate
CID 108788630
4-[4-(diethylamino)anilino]-4-oxobutanoic acid
CID 722023
3-(2,4-dioxopyrimidin-1-yl)-N-[10-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]decyl]propanamide
CID 100981619
N-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108788701
N-[3-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide
CID 108801659

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide (CID 35569669) is N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is CCN(CC)c1ccc(NC(=O)CCn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
The InChIKey is PVZWWYALFBHQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-3-20(4-2)14-7-5-13(6-8-14)18-15(22)9-11-21-12-10-16(23)19-17(21)24/h5-8,10,12H,3-4,9,11H2,1-2H3,(H,18,22)(H,19,23,24).
What are the key properties of N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide?
N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide has a molecular weight of 330.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-3-(2,4-dioxopyrimidin-1-yl)propanamide is sourced from PubChem (CID 35569669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).