N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide

C23H32N4O3 — CID 78904288

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C=C(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N4O3/c1-5-6-13-27-21(24)20(22(29)25-23(27)30)26(14-12-16(2)3)19(28)15-17(4)18-10-8-7-9-11-18/h7-11,15-16H,5-6,12-14,24H2,1-4H3,(H,25,29,30)
InChIKeyLUVUYGPZSRTWBH-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.40
Rot. Bonds9

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide (PubChem CID 78904288) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide
PubChem CID78904288
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C=C(C)c2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C23H32N4O3/c1-5-6-13-27-21(24)20(22(29)25-23(27)30)26(14-12-16(2)3)19(28)15-17(4)18-10-8-7-9-11-18/h7-11,15-16H,5-6,12-14,24H2,1-4H3,(H,25,29,30)
InChIKeyLUVUYGPZSRTWBH-UHFFFAOYSA-N
XLogP3.40
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
CID 30659785
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-1H-indole-2-carboxamide
CID 52896459
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-4-(phenoxymethyl)benzamide
CID 55338202
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methoxy-N-(3-methylbutyl)benzamide
CID 26185350
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-fluorophenyl)-N-(3-methylbutyl)acetamide
CID 26185400
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(2-methylpropyl)benzamide
CID 26200695
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(diethylsulfamoyl)-N-(3-methylbutyl)benzamide
CID 16550078
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(3-methylbutyl)furan-2-carboxamide
CID 26185385
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 42999712
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-oxochromene-3-carboxamide
CID 26185426
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-methyl-N-(2-methylpropyl)benzamide
CID 8922784

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide (CID 78904288) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)C=C(C)c2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide?
The InChIKey is LUVUYGPZSRTWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-5-6-13-27-21(24)20(22(29)25-23(27)30)26(14-12-16(2)3)19(28)15-17(4)18-10-8-7-9-11-18/h7-11,15-16H,5-6,12-14,24H2,1-4H3,(H,25,29,30).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide has a molecular weight of 412.53 g/mol, XLogP of 3.40, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-3-phenylbut-2-enamide is sourced from PubChem (CID 78904288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).