(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide

C18H25NO3 — CID 110497204

IUPAC(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C18H25NO3/c1-14-5-3-4-6-17(14)19-18(20)12-9-15-7-10-16(11-8-15)22-13-21-2/h7-12,14,17H,3-6,13H2,1-2H3,(H,19,20)/b12-9+
InChIKeyZWEUAACBSZMMSO-FMIVXFBMSA-N
MW303.40 g/mol
LogP3.38
Rot. Bonds6

About (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide

(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide (PubChem CID 110497204) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
PubChem CID110497204
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)NC2CCCCC2C)cc1
InChIInChI=1S/C18H25NO3/c1-14-5-3-4-6-17(14)19-18(20)12-9-15-7-10-16(11-8-15)22-13-21-2/h7-12,14,17H,3-6,13H2,1-2H3,(H,19,20)/b12-9+
InChIKeyZWEUAACBSZMMSO-FMIVXFBMSA-N
XLogP3.38
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(E)-3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxoprop-1-enyl]benzoate
CID 8902193
3-(4-methoxyphenyl)-N-[(2S)-2-[3-(4-methoxyphenyl)prop-2-enoylamino]cyclohexyl]prop-2-enamide
CID 123929068
N-(2-hydroxycyclohexyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 76941549
(E)-3-(3,4-dimethoxyphenyl)-N-[(1R,2S)-2-methylcyclohexyl]prop-2-enamide
CID 6981079
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 103860266
2-[3-(4-methoxyphenyl)prop-2-enoylamino]-N-(2-methylcyclohexyl)propanamide
CID 75125584
(E)-3-[4-(methoxymethoxy)phenyl]-N-(oxolan-2-ylmethyl)prop-2-enamide
CID 110497183
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
(E)-N-(2-methylcyclohexyl)-3-(3-methylphenyl)prop-2-enamide
CID 43010855
(E)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 6952792
(E)-3-(4-hydroxyphenyl)-N-[(1S,2S)-2-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]amino]cyclohexyl]prop-2-enamide
CID 102001285
(E)-3-[4-(2-amino-2-oxoethoxy)phenyl]-N-cyclopentylprop-2-enamide
CID 134060013

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide?
The IUPAC name of (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide (CID 110497204) is (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide?
The canonical SMILES for (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide is COCOc1ccc(/C=C/C(=O)NC2CCCCC2C)cc1.
What is the InChIKey of (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide?
The InChIKey is ZWEUAACBSZMMSO-FMIVXFBMSA-N. The full InChI is InChI=1S/C18H25NO3/c1-14-5-3-4-6-17(14)19-18(20)12-9-15-7-10-16(11-8-15)22-13-21-2/h7-12,14,17H,3-6,13H2,1-2H3,(H,19,20)/b12-9+.
What are the key properties of (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide?
(E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide has a molecular weight of 303.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-(methoxymethoxy)phenyl]-N-(2-methylcyclohexyl)prop-2-enamide is sourced from PubChem (CID 110497204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).