N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide

C18H24N4O4 — CID 2467582

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O4/c1-4-6-10-22-15(19)14(16(23)20-18(22)25)21(5-2)17(24)12-8-7-9-13(11-12)26-3/h7-9,11H,4-6,10,19H2,1-3H3,(H,20,23,25)
InChIKeyCGELNFBLOCGXQL-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.59
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide (PubChem CID 2467582) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
PubChem CID2467582
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cccc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C18H24N4O4/c1-4-6-10-22-15(19)14(16(23)20-18(22)25)21(5-2)17(24)12-8-7-9-13(11-12)26-3/h7-9,11H,4-6,10,19H2,1-3H3,(H,20,23,25)
InChIKeyCGELNFBLOCGXQL-UHFFFAOYSA-N
XLogP1.59
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide (CID 2467582) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide is CCCCn1c(N)c(N(CC)C(=O)c2cccc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide?
The InChIKey is CGELNFBLOCGXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-4-6-10-22-15(19)14(16(23)20-18(22)25)21(5-2)17(24)12-8-7-9-13(11-12)26-3/h7-9,11H,4-6,10,19H2,1-3H3,(H,20,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide has a molecular weight of 360.41 g/mol, XLogP of 1.59, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methoxybenzamide is sourced from PubChem (CID 2467582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).