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

C20H34N4O4 — CID 18276814

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O4/c1-3-4-12-24-18(21)17(19(26)22-20(24)27)23(13-14-28-2)16(25)11-10-15-8-6-5-7-9-15/h15H,3-14,21H2,1-2H3,(H,22,26,27)
InChIKeyPWHMLBOLICKCMV-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.26
Rot. Bonds10

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide (PubChem CID 18276814) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide
PubChem CID18276814
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide
SMILESCCCCn1c(N)c(N(CCOC)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O4/c1-3-4-12-24-18(21)17(19(26)22-20(24)27)23(13-14-28-2)16(25)11-10-15-8-6-5-7-9-15/h15H,3-14,21H2,1-2H3,(H,22,26,27)
InChIKeyPWHMLBOLICKCMV-UHFFFAOYSA-N
XLogP2.26
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide (CID 18276814) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide is CCCCn1c(N)c(N(CCOC)C(=O)CCC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
The InChIKey is PWHMLBOLICKCMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-3-4-12-24-18(21)17(19(26)22-20(24)27)23(13-14-28-2)16(25)11-10-15-8-6-5-7-9-15/h15H,3-14,21H2,1-2H3,(H,22,26,27).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-N-(2-methoxyethyl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.26, 10 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)-3-cyclohexyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 18276814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).