N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide

C18H28N4O4 — CID 135450512

IUPACN-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\CC)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-3-5-11-14(23)21-20-13(4-2)15-16(24)19-18(26)22(17(15)25)12-9-7-6-8-10-12/h12,25H,3-11H2,1-2H3,(H,21,23)(H,19,24,26)/b20-13+
InChIKeyUUKXZQKCKQPPEZ-DEDYPNTBSA-N
MW364.45 g/mol
LogP2.17
Rot. Bonds7

About N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide

N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide (PubChem CID 135450512) has the molecular formula C18H28N4O4 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide.

Molecular Properties

Compound NameN-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
PubChem CID135450512
Molecular FormulaC18H28N4O4
Molecular Weight364.45 g/mol
Exact Mass364.21
IUPAC NameN-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
SMILESCCCCC(=O)N/N=C(\CC)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C18H28N4O4/c1-3-5-11-14(23)21-20-13(4-2)15-16(24)19-18(26)22(17(15)25)12-9-7-6-8-10-12/h12,25H,3-11H2,1-2H3,(H,21,23)(H,19,24,26)/b20-13+
InChIKeyUUKXZQKCKQPPEZ-DEDYPNTBSA-N
XLogP2.17
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
The IUPAC name of N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide (CID 135450512) is N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide.
What is the SMILES notation for N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
The canonical SMILES for N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide is CCCCC(=O)N/N=C(\CC)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
The InChIKey is UUKXZQKCKQPPEZ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H28N4O4/c1-3-5-11-14(23)21-20-13(4-2)15-16(24)19-18(26)22(17(15)25)12-9-7-6-8-10-12/h12,25H,3-11H2,1-2H3,(H,21,23)(H,19,24,26)/b20-13+.
What are the key properties of N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide?
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide has a molecular weight of 364.45 g/mol, XLogP of 2.17, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide is sourced from PubChem (CID 135450512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).