N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide

C16H29NO — CID 54470993

IUPACN-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide
SMILESC=C(C)CN(CCCCC)C(=O)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-4-5-9-12-17(13-14(2)3)16(18)15-10-7-6-8-11-15/h15H,2,4-13H2,1,3H3
InChIKeyXIIRFPUFKOSXAC-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.16
Rot. Bonds7

About N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide

N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide (PubChem CID 54470993) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide
PubChem CID54470993
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide
SMILESC=C(C)CN(CCCCC)C(=O)C1CCCCC1
InChIInChI=1S/C16H29NO/c1-4-5-9-12-17(13-14(2)3)16(18)15-10-7-6-8-11-15/h15H,2,4-13H2,1,3H3
InChIKeyXIIRFPUFKOSXAC-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide?
The IUPAC name of N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide (CID 54470993) is N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide.
What is the SMILES notation for N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide?
The canonical SMILES for N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide is C=C(C)CN(CCCCC)C(=O)C1CCCCC1.
What is the InChIKey of N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide?
The InChIKey is XIIRFPUFKOSXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-4-5-9-12-17(13-14(2)3)16(18)15-10-7-6-8-11-15/h15H,2,4-13H2,1,3H3.
What are the key properties of N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide?
N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide has a molecular weight of 251.41 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-N-pentylcyclohexanecarboxamide is sourced from PubChem (CID 54470993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).