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

C18H25NO — CID 134244970

IUPACN-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C18H25NO/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)19-18(20)4-2/h4,10-15H,2-3,5-9H2,1H3,(H,19,20)
InChIKeyAQTSZVURIBHWIY-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.89
Rot. Bonds5

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

N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide (PubChem CID 134244970) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
PubChem CID134244970
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC NameN-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C2CCC(CCC)CC2)cc1
InChIInChI=1S/C18H25NO/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)19-18(20)4-2/h4,10-15H,2-3,5-9H2,1H3,(H,19,20)
InChIKeyAQTSZVURIBHWIY-UHFFFAOYSA-N
XLogP4.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.89
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-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]phenyl]prop-2-enamide
CID 135214857
N-[3-ethyl-4-[4-(4-pentylcyclohexyl)phenyl]phenyl]prop-2-enamide
CID 135214843
1-[4-[4-[2-(4-propylcyclohexyl)ethenyl]cyclohexyl]phenyl]prop-2-en-1-one
CID 59695799
N-[4-[4-(4-heptylcyclohexyl)phenyl]phenyl]-2-methylprop-2-enamide
CID 134245611
N-(4-cyclopropylphenyl)heptanamide
CID 155735657
N-[2-[4-[4-(4-nonylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 142281906
N-[2,2,3,3-tetrafluoro-3-[4-(4-pentylcyclohexyl)phenyl]propyl]prop-2-enamide
CID 135214795
N-methyl-4-(4-pentylcyclohexyl)aniline;prop-2-enal
CID 142282274
[4-(4-hex-5-enylcyclohexyl)phenyl]carbamic acid
CID 70462906
(4-prop-2-enoylphenyl) 4-(4-propylcyclohexyl)benzoate
CID 59695720
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
3-[4-(4-propylcyclohexyl)phenyl]prop-2-enoic acid
CID 4201535

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide?
The IUPAC name of N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide (CID 134244970) is N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide?
The canonical SMILES for N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C2CCC(CCC)CC2)cc1.
What is the InChIKey of N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide?
The InChIKey is AQTSZVURIBHWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-3-5-14-6-8-15(9-7-14)16-10-12-17(13-11-16)19-18(20)4-2/h4,10-15H,2-3,5-9H2,1H3,(H,19,20).
What are the key properties of N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide?
N-[4-(4-propylcyclohexyl)phenyl]prop-2-enamide has a molecular weight of 271.40 g/mol, XLogP of 4.89, 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)phenyl]prop-2-enamide is sourced from PubChem (CID 134244970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).