4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide

C16H25NO2 — CID 142176897

IUPAC4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCCC(CCC)CNC(=O)C1=CC=C(C=O)CC1
InChIInChI=1S/C16H25NO2/c1-3-5-13(6-4-2)11-17-16(19)15-9-7-14(12-18)8-10-15/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,19)
InChIKeyBCIFBDUTHYAPOT-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.16
Rot. Bonds8

About 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide

4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide (PubChem CID 142176897) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide
PubChem CID142176897
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide
SMILESCCCC(CCC)CNC(=O)C1=CC=C(C=O)CC1
InChIInChI=1S/C16H25NO2/c1-3-5-13(6-4-2)11-17-16(19)15-9-7-14(12-18)8-10-15/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,19)
InChIKeyBCIFBDUTHYAPOT-UHFFFAOYSA-N
XLogP3.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide (CID 142176897) is 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide is CCCC(CCC)CNC(=O)C1=CC=C(C=O)CC1.
What is the InChIKey of 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is BCIFBDUTHYAPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-5-13(6-4-2)11-17-16(19)15-9-7-14(12-18)8-10-15/h7,9,12-13H,3-6,8,10-11H2,1-2H3,(H,17,19).
What are the key properties of 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide?
4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-(2-propylpentyl)cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142176897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).