N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide

C14H25NO — CID 135222956

IUPACN-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-10(2)13(16)15-12-8-6-11(7-9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3,(H,15,16)
InChIKeyVJVWSEZYEAHHNP-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.28
Rot. Bonds2

About N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide

N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide (PubChem CID 135222956) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide
PubChem CID135222956
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H25NO/c1-10(2)13(16)15-12-8-6-11(7-9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3,(H,15,16)
InChIKeyVJVWSEZYEAHHNP-UHFFFAOYSA-N
XLogP3.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide?
The IUPAC name of N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide (CID 135222956) is N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide?
The InChIKey is VJVWSEZYEAHHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10(2)13(16)15-12-8-6-11(7-9-12)14(3,4)5/h11-12H,1,6-9H2,2-5H3,(H,15,16).
What are the key properties of N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide?
N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide has a molecular weight of 223.36 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcyclohexyl)-2-methylprop-2-enamide is sourced from PubChem (CID 135222956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).