N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

C22H26N2O2 — CID 72689163

IUPACN-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
SMILESCC1CCC(NC(=O)C=Cc2ccc(OCc3cccnc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-17-4-9-20(10-5-17)24-22(25)13-8-18-6-11-21(12-7-18)26-16-19-3-2-14-23-15-19/h2-3,6-8,11-15,17,20H,4-5,9-10,16H2,1H3,(H,24,25)
InChIKeyXKBQWKLQAOYUJP-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.37
Rot. Bonds6

About N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide

N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (PubChem CID 72689163) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
PubChem CID72689163
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
SMILESCC1CCC(NC(=O)C=Cc2ccc(OCc3cccnc3)cc2)CC1
InChIInChI=1S/C22H26N2O2/c1-17-4-9-20(10-5-17)24-22(25)13-8-18-6-11-21(12-7-18)26-16-19-3-2-14-23-15-19/h2-3,6-8,11-15,17,20H,4-5,9-10,16H2,1H3,(H,24,25)
InChIKeyXKBQWKLQAOYUJP-UHFFFAOYSA-N
XLogP4.37
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(1S,5R,6R,7S)-7-hydroxy-6-bicyclo[3.2.0]heptanyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 166282599
(E)-3-(4-phenylmethoxyphenyl)-N-piperidin-4-ylprop-2-enamide
CID 127217554
(E)-N-[1-(4-chlorophenyl)ethyl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 42950724
methyl 2-phenyl-2-[3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoylamino]acetate
CID 76878914
(E)-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide
CID 56520558
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
2,4-difluoro-5-[[(E)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzamide
CID 56570754
N-(4-methylcyclohexyl)-3-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]prop-2-enamide
CID 74300519
(E)-N-cyclopropyl-3-(4-methoxyphenyl)prop-2-enamide
CID 874267
tert-butyl (3S)-3-methyl-4-[(E)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]piperazine-1-carboxylate
CID 166189563
ethyl 3-[[(E)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enoyl]amino]benzoate
CID 39471203
(Z)-1-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-en-1-one
CID 97449994

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide (CID 72689163) is N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is CC1CCC(NC(=O)C=Cc2ccc(OCc3cccnc3)cc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
The InChIKey is XKBQWKLQAOYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-4-9-20(10-5-17)24-22(25)13-8-18-6-11-21(12-7-18)26-16-19-3-2-14-23-15-19/h2-3,6-8,11-15,17,20H,4-5,9-10,16H2,1H3,(H,24,25).
What are the key properties of N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide?
N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide has a molecular weight of 350.46 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-[4-(pyridin-3-ylmethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 72689163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).