(E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide

C19H22N2O2 — CID 13392589

IUPAC(E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(C)=C/c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-21(5-2)19(22)15(3)13-16-8-10-17(11-9-16)23-18-7-6-12-20-14-18/h6-14H,4-5H2,1-3H3/b15-13+
InChIKeyHMWLTIRJQPCOOH-FYWRMAATSA-N
MW310.40 g/mol
LogP4.15
Rot. Bonds6

About (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide

(E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide (PubChem CID 13392589) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide
PubChem CID13392589
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name(E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide
SMILESCCN(CC)C(=O)/C(C)=C/c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C19H22N2O2/c1-4-21(5-2)19(22)15(3)13-16-8-10-17(11-9-16)23-18-7-6-12-20-14-18/h6-14H,4-5H2,1-3H3/b15-13+
InChIKeyHMWLTIRJQPCOOH-FYWRMAATSA-N
XLogP4.15
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.15
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

2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide;hydrochloride
CID 70486559
ethyl (E)-3-(4-pyridin-3-yloxyphenyl)prop-2-enoate
CID 86741940
1-(4-pyridin-3-yloxyphenyl)ethanone
CID 3016094
ethane;1-(4-hexoxyphenyl)ethanone;methane;4-pyridin-3-yloxybenzaldehyde
CID 143062011
(4-pyridin-3-yloxyphenyl)methyl (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 166194144
4-pyridin-3-yloxybenzoic acid
CID 22261667
3-[4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenoxy]pyridine
CID 171109786
ethyl 3-methyl-4-oxo-4-(4-pyridin-3-yloxyphenyl)butanoate
CID 14798053
methyl 2-amino-3-(4-pyridin-3-yloxyphenyl)propanoate
CID 24730209
2-[4-[4-[3-(carbamoylamino)-3-oxoprop-1-enyl]phenoxy]phenyl]-N,N-dimethyl-3-pyridin-3-ylprop-2-enamide
CID 69130272
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
3-amino-N,N-diethyl-2-oxo-4-pyridin-3-ylbutanamide
CID 143418820

Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide (CID 13392589) is (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide is CCN(CC)C(=O)/C(C)=C/c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide?
The InChIKey is HMWLTIRJQPCOOH-FYWRMAATSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-4-21(5-2)19(22)15(3)13-16-8-10-17(11-9-16)23-18-7-6-12-20-14-18/h6-14H,4-5H2,1-3H3/b15-13+.
What are the key properties of (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide?
(E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide has a molecular weight of 310.40 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-2-methyl-3-(4-pyridin-3-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 13392589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).