N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide

C14H25NO — CID 89277090

IUPACN-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCC1CCCCC1CC
InChIInChI=1S/C14H25NO/c1-3-12-8-5-6-9-13(12)10-7-11-15-14(16)4-2/h4,12-13H,2-3,5-11H2,1H3,(H,15,16)
InChIKeyBNUWPPNCWFLQOZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.29
Rot. Bonds6

About N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide

N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide (PubChem CID 89277090) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide
PubChem CID89277090
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide
SMILESC=CC(=O)NCCCC1CCCCC1CC
InChIInChI=1S/C14H25NO/c1-3-12-8-5-6-9-13(12)10-7-11-15-14(16)4-2/h4,12-13H,2-3,5-11H2,1H3,(H,15,16)
InChIKeyBNUWPPNCWFLQOZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide?
The IUPAC name of N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide (CID 89277090) is N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide is C=CC(=O)NCCCC1CCCCC1CC.
What is the InChIKey of N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide?
The InChIKey is BNUWPPNCWFLQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-12-8-5-6-9-13(12)10-7-11-15-14(16)4-2/h4,12-13H,2-3,5-11H2,1H3,(H,15,16).
What are the key properties of N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide?
N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethylcyclohexyl)propyl]prop-2-enamide is sourced from PubChem (CID 89277090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).