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

C19H30N4O4 — CID 135498934

IUPACN-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C(\C)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O4/c1-3-4-5-9-12-15(24)22-21-13(2)16-17(25)20-19(27)23(18(16)26)14-10-7-6-8-11-14/h14,26H,3-12H2,1-2H3,(H,22,24)(H,20,25,27)/b21-13+
InChIKeyXDIQCTQSIHJRRM-FYJGNVAPSA-N
MW378.47 g/mol
LogP2.56
Rot. Bonds8

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

N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide (PubChem CID 135498934) has the molecular formula C19H30N4O4 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide
PubChem CID135498934
Molecular FormulaC19H30N4O4
Molecular Weight378.47 g/mol
Exact Mass378.23
IUPAC NameN-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C(\C)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H30N4O4/c1-3-4-5-9-12-15(24)22-21-13(2)16-17(25)20-19(27)23(18(16)26)14-10-7-6-8-11-14/h14,26H,3-12H2,1-2H3,(H,22,24)(H,20,25,27)/b21-13+
InChIKeyXDIQCTQSIHJRRM-FYJGNVAPSA-N
XLogP2.56
TPSA116.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)ethylideneamino]heptanamide?
The IUPAC name of N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide (CID 135498934) is N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide.
What is the SMILES notation for N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide?
The canonical SMILES for N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide is CCCCCCC(=O)N/N=C(\C)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)ethylideneamino]heptanamide?
The InChIKey is XDIQCTQSIHJRRM-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H30N4O4/c1-3-4-5-9-12-15(24)22-21-13(2)16-17(25)20-19(27)23(18(16)26)14-10-7-6-8-11-14/h14,26H,3-12H2,1-2H3,(H,22,24)(H,20,25,27)/b21-13+.
What are the key properties of N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide?
N-[(E)-1-(1-cyclohexyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)ethylideneamino]heptanamide has a molecular weight of 378.47 g/mol, XLogP of 2.56, 8 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)ethylideneamino]heptanamide is sourced from PubChem (CID 135498934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).