(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide

C17H18N2O2 — CID 134111994

IUPAC(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESCc1ccc(Oc2ccc(/C=C/C(=O)N(C)C)cc2)nc1
InChIInChI=1S/C17H18N2O2/c1-13-4-10-16(18-12-13)21-15-8-5-14(6-9-15)7-11-17(20)19(2)3/h4-12H,1-3H3/b11-7+
InChIKeyRZUBXQBBFOJJFR-YRNVUSSQSA-N
MW282.34 g/mol
LogP3.28
Rot. Bonds4

About (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide

(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide (PubChem CID 134111994) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
PubChem CID134111994
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide
SMILESCc1ccc(Oc2ccc(/C=C/C(=O)N(C)C)cc2)nc1
InChIInChI=1S/C17H18N2O2/c1-13-4-10-16(18-12-13)21-15-8-5-14(6-9-15)7-11-17(20)19(2)3/h4-12H,1-3H3/b11-7+
InChIKeyRZUBXQBBFOJJFR-YRNVUSSQSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 28639843
(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide
CID 139551714
methyl 6-(4-methylphenoxy)pyridine-3-carboxylate
CID 123190451
(E)-3-[6-(4-fluorophenoxy)-3-pyridinyl]prop-2-enoic acid
CID 21287966
(E)-3-[6-(4-methylsulfanylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632893
(E)-3-[6-(3,4-dimethylphenoxy)-3-pyridinyl]prop-2-enoic acid
CID 80632890
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
CID 87138561
(E)-3-(6-methoxynaphthalen-2-yl)-N,N-dimethylprop-2-enamide
CID 39001200
1-[4-(6-chloropyridazin-3-yl)oxyphenyl]-3-(4-methylphenyl)prop-2-en-1-one
CID 175426620
(E)-3-[6-[3-(dimethylamino)phenoxy]-3-pyridinyl]prop-2-enoic acid
CID 80638679
2-(3,4-dimethylphenoxy)-5-methylpyridine
CID 123670346

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The IUPAC name of (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide (CID 134111994) is (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The canonical SMILES for (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide is Cc1ccc(Oc2ccc(/C=C/C(=O)N(C)C)cc2)nc1.
What is the InChIKey of (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
The InChIKey is RZUBXQBBFOJJFR-YRNVUSSQSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-4-10-16(18-12-13)21-15-8-5-14(6-9-15)7-11-17(20)19(2)3/h4-12H,1-3H3/b11-7+.
What are the key properties of (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide?
(E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide has a molecular weight of 282.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-dimethyl-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]prop-2-enamide is sourced from PubChem (CID 134111994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).