N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide

C14H24N2O2 — CID 55103679

IUPACN-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C14H24N2O2/c1-3-9-18-10-6-13(17)16-14(11-15)7-4-12(2)5-8-14/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyMDMUWACLVWBDPQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.39
Rot. Bonds6

About N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide

N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide (PubChem CID 55103679) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide.

Molecular Properties

Compound NameN-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide
PubChem CID55103679
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide
SMILESCCCOCCC(=O)NC1(C#N)CCC(C)CC1
InChIInChI=1S/C14H24N2O2/c1-3-9-18-10-6-13(17)16-14(11-15)7-4-12(2)5-8-14/h12H,3-10H2,1-2H3,(H,16,17)
InChIKeyMDMUWACLVWBDPQ-UHFFFAOYSA-N
XLogP2.39
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide?
The IUPAC name of N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide (CID 55103679) is N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide.
What is the SMILES notation for N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide?
The canonical SMILES for N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide is CCCOCCC(=O)NC1(C#N)CCC(C)CC1.
What is the InChIKey of N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide?
The InChIKey is MDMUWACLVWBDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-3-9-18-10-6-13(17)16-14(11-15)7-4-12(2)5-8-14/h12H,3-10H2,1-2H3,(H,16,17).
What are the key properties of N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide?
N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide has a molecular weight of 252.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-4-methylcyclohexyl)-3-propoxypropanamide is sourced from PubChem (CID 55103679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).