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

C24H31N5O5 — CID 16550083

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O5/c1-5-6-12-28-19(25)18(20(30)26-24(28)34)27(13-11-14(2)3)21(31)15(4)29-22(32)16-9-7-8-10-17(16)23(29)33/h7-10,14-15H,5-6,11-13,25H2,1-4H3,(H,26,30,34)
InChIKeyOYZYPBPDZFHCDH-UHFFFAOYSA-N
MW469.54 g/mol
LogP1.98
Rot. Bonds9

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide (PubChem CID 16550083) has the molecular formula C24H31N5O5 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide
PubChem CID16550083
Molecular FormulaC24H31N5O5
Molecular Weight469.54 g/mol
Exact Mass469.23
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide
SMILESCCCCn1c(N)c(N(CCC(C)C)C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O
InChIInChI=1S/C24H31N5O5/c1-5-6-12-28-19(25)18(20(30)26-24(28)34)27(13-11-14(2)3)21(31)15(4)29-22(32)16-9-7-8-10-17(16)23(29)33/h7-10,14-15H,5-6,11-13,25H2,1-4H3,(H,26,30,34)
InChIKeyOYZYPBPDZFHCDH-UHFFFAOYSA-N
XLogP1.98
TPSA138.57 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide (CID 16550083) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide is CCCCn1c(N)c(N(CCC(C)C)C(=O)C(C)N2C(=O)c3ccccc3C2=O)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide?
The InChIKey is OYZYPBPDZFHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O5/c1-5-6-12-28-19(25)18(20(30)26-24(28)34)27(13-11-14(2)3)21(31)15(4)29-22(32)16-9-7-8-10-17(16)23(29)33/h7-10,14-15H,5-6,11-13,25H2,1-4H3,(H,26,30,34).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide has a molecular weight of 469.54 g/mol, XLogP of 1.98, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 16550083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).