N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide

C16H25NO — CID 57169967

IUPACN-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide
SMILESCC1=CC(C)(CCNC(=O)C2CCCCC2)C=C1
InChIInChI=1S/C16H25NO/c1-13-8-9-16(2,12-13)10-11-17-15(18)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeyZXKQALGYJRAORK-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.60
Rot. Bonds4

About N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide

N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide (PubChem CID 57169967) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide
PubChem CID57169967
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide
SMILESCC1=CC(C)(CCNC(=O)C2CCCCC2)C=C1
InChIInChI=1S/C16H25NO/c1-13-8-9-16(2,12-13)10-11-17-15(18)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,17,18)
InChIKeyZXKQALGYJRAORK-UHFFFAOYSA-N
XLogP3.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide (CID 57169967) is N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide is CC1=CC(C)(CCNC(=O)C2CCCCC2)C=C1.
What is the InChIKey of N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide?
The InChIKey is ZXKQALGYJRAORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-8-9-16(2,12-13)10-11-17-15(18)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,17,18).
What are the key properties of N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide?
N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide has a molecular weight of 247.38 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-dimethylcyclopenta-2,4-dien-1-yl)ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 57169967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).