N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide

C18H31NO — CID 134246443

IUPACN-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H31NO/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)19-18(20)4-2/h4,14-17H,2-3,5-13H2,1H3,(H,19,20)
InChIKeyRINKOJBBEHOSPX-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.45
Rot. Bonds5

About N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide

N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide (PubChem CID 134246443) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
PubChem CID134246443
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide
SMILESC=CC(=O)NC1CCC(C2CCC(CCC)CC2)CC1
InChIInChI=1S/C18H31NO/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)19-18(20)4-2/h4,14-17H,2-3,5-13H2,1H3,(H,19,20)
InChIKeyRINKOJBBEHOSPX-UHFFFAOYSA-N
XLogP4.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.45
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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Related Compounds

N-[4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]cyclohexyl]prop-2-enamide
CID 134244880
N-[4-[4-(5-fluoropentyl)cyclohexyl]cyclohexyl]prop-2-enamide
CID 134244993
4-oxo-4-[(4-propylcyclohexyl)amino]but-2-enoic acid
CID 54962888
N-[4-(2-methylpropyl)cyclohexyl]prop-2-enamide
CID 130426855
N-[4-[4-[4-(4-pentylcyclohexyl)cyclohexen-1-yl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245605
N-(4-prop-2-enylcyclohexyl)prop-2-enamide
CID 144952978
N-(4-aminocyclohexyl)prop-2-enamide
CID 62319252
N-[4-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]cyclohexyl]prop-2-enamide
CID 134245752
N-[4-[3-fluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]cyclohexyl]prop-2-enamide
CID 135214922
N-(4-aminocyclohexyl)prop-2-enamide;sulfane
CID 158384464
2-hydroxy-2-methyl-N-(4-propylcyclohexyl)propanamide
CID 103429701
N-(3-methylbut-1-en-2-yl)-4-propylcyclohexan-1-amine
CID 174316487

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide?
The IUPAC name of N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide (CID 134246443) is N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide is C=CC(=O)NC1CCC(C2CCC(CCC)CC2)CC1.
What is the InChIKey of N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide?
The InChIKey is RINKOJBBEHOSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)19-18(20)4-2/h4,14-17H,2-3,5-13H2,1H3,(H,19,20).
What are the key properties of N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide?
N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide has a molecular weight of 277.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propylcyclohexyl)cyclohexyl]prop-2-enamide is sourced from PubChem (CID 134246443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).