N-cyclohexyl-2-(prop-2-enylamino)propanamide

C12H22N2O — CID 43083531

IUPACN-cyclohexyl-2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyJQIIPDOCOMQCKP-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.60
Rot. Bonds5

About N-cyclohexyl-2-(prop-2-enylamino)propanamide

N-cyclohexyl-2-(prop-2-enylamino)propanamide (PubChem CID 43083531) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-cyclohexyl-2-(prop-2-enylamino)propanamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(prop-2-enylamino)propanamide
PubChem CID43083531
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-cyclohexyl-2-(prop-2-enylamino)propanamide
SMILESC=CCNC(C)C(=O)NC1CCCCC1
InChIInChI=1S/C12H22N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15)
InChIKeyJQIIPDOCOMQCKP-UHFFFAOYSA-N
XLogP1.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-cyclohexyl-2-(prop-2-enylamino)propanamide?
The IUPAC name of N-cyclohexyl-2-(prop-2-enylamino)propanamide (CID 43083531) is N-cyclohexyl-2-(prop-2-enylamino)propanamide.
What is the SMILES notation for N-cyclohexyl-2-(prop-2-enylamino)propanamide?
The canonical SMILES for N-cyclohexyl-2-(prop-2-enylamino)propanamide is C=CCNC(C)C(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(prop-2-enylamino)propanamide?
The InChIKey is JQIIPDOCOMQCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-9-13-10(2)12(15)14-11-7-5-4-6-8-11/h3,10-11,13H,1,4-9H2,2H3,(H,14,15).
What are the key properties of N-cyclohexyl-2-(prop-2-enylamino)propanamide?
N-cyclohexyl-2-(prop-2-enylamino)propanamide has a molecular weight of 210.32 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(prop-2-enylamino)propanamide is sourced from PubChem (CID 43083531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).