N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide

C14H23NO — CID 86911274

IUPACN-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CC=CCC1
InChIInChI=1S/C14H23NO/c1-2-10-15(11-12-8-9-12)14(16)13-6-4-3-5-7-13/h3-4,12-13H,2,5-11H2,1H3
InChIKeyWSLRNUVOKQBCEY-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.99
Rot. Bonds5

About N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide

N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide (PubChem CID 86911274) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
PubChem CID86911274
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide
SMILESCCCN(CC1CC1)C(=O)C1CC=CCC1
InChIInChI=1S/C14H23NO/c1-2-10-15(11-12-8-9-12)14(16)13-6-4-3-5-7-13/h3-4,12-13H,2,5-11H2,1H3
InChIKeyWSLRNUVOKQBCEY-UHFFFAOYSA-N
XLogP2.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide (CID 86911274) is N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide is CCCN(CC1CC1)C(=O)C1CC=CCC1.
What is the InChIKey of N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
The InChIKey is WSLRNUVOKQBCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-10-15(11-12-8-9-12)14(16)13-6-4-3-5-7-13/h3-4,12-13H,2,5-11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide?
N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-propylcyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 86911274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).