(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide

C19H21NO3 — CID 110501087

IUPAC(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21NO3/c1-14-10-15(2)12-17(11-14)20-19(21)9-6-16-4-7-18(8-5-16)23-13-22-3/h4-12H,13H2,1-3H3,(H,20,21)/b9-6+
InChIKeyRMHTZGHGXRZCKT-RMKNXTFCSA-N
MW311.38 g/mol
LogP3.94
Rot. Bonds6

About (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide

(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (PubChem CID 110501087) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
PubChem CID110501087
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
SMILESCOCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1
InChIInChI=1S/C19H21NO3/c1-14-10-15(2)12-17(11-14)20-19(21)9-6-16-4-7-18(8-5-16)23-13-22-3/h4-12H,13H2,1-3H3,(H,20,21)/b9-6+
InChIKeyRMHTZGHGXRZCKT-RMKNXTFCSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.94
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

(E)-N-(3,5-dimethylphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 805674
(E)-N-(2-hydroxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501090
(E)-N-(2,5-dimethoxyphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110501086
(E)-N-(2-hydroxyethyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide
CID 110497154
(E)-3-[4-(methoxymethoxy)phenyl]-N-(1H-pyrazol-5-yl)prop-2-enamide
CID 110501197
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methoxyethoxy)phenyl]prop-2-enamide
CID 17227131
3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
N-(3,5-dimethylphenyl)-3-(3-methoxy-4-pentoxyphenyl)prop-2-enamide
CID 4086044
N-(4-hexoxyphenyl)-3-(4-methylphenyl)prop-2-enamide
CID 4939379
3-(4-chloro-3-methylphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 54031031
(E)-N-(3-ethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 17227150
(E)-3-(2,5-dimethoxyphenyl)-N-(3,5-dimethylphenyl)prop-2-enamide
CID 2683290

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide (CID 110501087) is (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is COCOc1ccc(/C=C/C(=O)Nc2cc(C)cc(C)c2)cc1.
What is the InChIKey of (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
The InChIKey is RMHTZGHGXRZCKT-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14-10-15(2)12-17(11-14)20-19(21)9-6-16-4-7-18(8-5-16)23-13-22-3/h4-12H,13H2,1-3H3,(H,20,21)/b9-6+.
What are the key properties of (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide?
(E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dimethylphenyl)-3-[4-(methoxymethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 110501087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).