N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide

C14H25NO2 — CID 146344890

IUPACN-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)C1CCCCC1O
InChIInChI=1S/C14H25NO2/c1-4-5-10-15(14(17)11(2)3)12-8-6-7-9-13(12)16/h12-13,16H,2,4-10H2,1,3H3
InChIKeyRHAJWSVRQVDHLA-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.49
Rot. Bonds5

About N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide

N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide (PubChem CID 146344890) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide
PubChem CID146344890
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCC)C1CCCCC1O
InChIInChI=1S/C14H25NO2/c1-4-5-10-15(14(17)11(2)3)12-8-6-7-9-13(12)16/h12-13,16H,2,4-10H2,1,3H3
InChIKeyRHAJWSVRQVDHLA-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.49
H-Bond Donors ≤ 51
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-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide?
The IUPAC name of N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide (CID 146344890) is N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide?
The canonical SMILES for N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCC)C1CCCCC1O.
What is the InChIKey of N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide?
The InChIKey is RHAJWSVRQVDHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-4-5-10-15(14(17)11(2)3)12-8-6-7-9-13(12)16/h12-13,16H,2,4-10H2,1,3H3.
What are the key properties of N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide?
N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide has a molecular weight of 239.36 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxycyclohexyl)-2-methylprop-2-enamide is sourced from PubChem (CID 146344890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).