5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

C19H31N3O3 — CID 72549209

IUPAC5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(CCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H31N3O3/c1-2-3-4-8-13-20-18(24)22-14-16(17(23)21-19(22)25)12-11-15-9-6-5-7-10-15/h14-15H,2-13H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyAMPVWBGYEKWXQN-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.19
Rot. Bonds8

About 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide

5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (PubChem CID 72549209) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
PubChem CID72549209
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
SMILESCCCCCCNC(=O)n1cc(CCC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H31N3O3/c1-2-3-4-8-13-20-18(24)22-14-16(17(23)21-19(22)25)12-11-15-9-6-5-7-10-15/h14-15H,2-13H2,1H3,(H,20,24)(H,21,23,25)
InChIKeyAMPVWBGYEKWXQN-UHFFFAOYSA-N
XLogP3.19
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The IUPAC name of 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide (CID 72549209) is 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide.
What is the SMILES notation for 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The canonical SMILES for 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is CCCCCCNC(=O)n1cc(CCC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
The InChIKey is AMPVWBGYEKWXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-2-3-4-8-13-20-18(24)22-14-16(17(23)21-19(22)25)12-11-15-9-6-5-7-10-15/h14-15H,2-13H2,1H3,(H,20,24)(H,21,23,25).
What are the key properties of 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide?
5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide has a molecular weight of 349.48 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-N-hexyl-2,4-dioxopyrimidine-1-carboxamide is sourced from PubChem (CID 72549209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).