N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide

C14H25NO2 — CID 121383948

IUPACN-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCC(CC(O)CC)C1
InChIInChI=1S/C14H25NO2/c1-3-13(16)9-11-6-5-7-12(8-11)10-15-14(17)4-2/h4,11-13,16H,2-3,5-10H2,1H3,(H,15,17)
InChIKeyYVEGOQYYBRAFJI-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.26
Rot. Bonds6

About N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide

N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide (PubChem CID 121383948) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide
PubChem CID121383948
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCCC(CC(O)CC)C1
InChIInChI=1S/C14H25NO2/c1-3-13(16)9-11-6-5-7-12(8-11)10-15-14(17)4-2/h4,11-13,16H,2-3,5-10H2,1H3,(H,15,17)
InChIKeyYVEGOQYYBRAFJI-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide?
The IUPAC name of N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide (CID 121383948) is N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide.
What is the SMILES notation for N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide?
The canonical SMILES for N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide is C=CC(=O)NCC1CCCC(CC(O)CC)C1.
What is the InChIKey of N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide?
The InChIKey is YVEGOQYYBRAFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-13(16)9-11-6-5-7-12(8-11)10-15-14(17)4-2/h4,11-13,16H,2-3,5-10H2,1H3,(H,15,17).
What are the key properties of N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide?
N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-hydroxybutyl)cyclohexyl]methyl]prop-2-enamide is sourced from PubChem (CID 121383948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).