(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide

C14H20N2O2 — CID 82354408

IUPAC(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CCN)C(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-3-16(10-9-15)14(17)8-7-12-5-4-6-13(11-12)18-2/h4-8,11H,3,9-10,15H2,1-2H3/b8-7+
InChIKeyYONJINGTLHOWGE-BQYQJAHWSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds6

About (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 82354408) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID82354408
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
SMILESCCN(CCN)C(=O)/C=C/c1cccc(OC)c1
InChIInChI=1S/C14H20N2O2/c1-3-16(10-9-15)14(17)8-7-12-5-4-6-13(11-12)18-2/h4-8,11H,3,9-10,15H2,1-2H3/b8-7+
InChIKeyYONJINGTLHOWGE-BQYQJAHWSA-N
XLogP1.52
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
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

(Z)-N,N-diethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 97304942
(E)-N-ethyl-N-(3-hydroxypropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 115771272
(E)-N-(cyanomethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide
CID 47074626
(E)-3-(3-aminophenyl)-N-ethyl-N-(2-methoxyethyl)prop-2-enamide
CID 115343730
ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
2-[3-(3-methoxyphenyl)prop-2-enoyl-prop-2-enylamino]acetic acid
CID 79263563
ethyl 6-(3-methoxyphenyl)-4-oxohex-5-enoate
CID 175343436
N-(2-aminoethyl)-N-ethyl-2-(3-methoxyphenoxy)acetamide
CID 82354386
(E)-3-(3-aminophenyl)-N,N-diethylprop-2-enamide
CID 39243869
(Z)-N-benzyl-3-(3-methoxyphenyl)-N-prop-2-enylprop-2-enamide
CID 126836586
(E)-N-[2-(ethylamino)-2-oxoethyl]-3-(3-methoxyphenyl)-N-methylprop-2-enamide
CID 47255947
3-[ethyl-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]propanoic acid
CID 61008451

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide (CID 82354408) is (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide is CCN(CCN)C(=O)/C=C/c1cccc(OC)c1.
What is the InChIKey of (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is YONJINGTLHOWGE-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-16(10-9-15)14(17)8-7-12-5-4-6-13(11-12)18-2/h4-8,11H,3,9-10,15H2,1-2H3/b8-7+.
What are the key properties of (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-aminoethyl)-N-ethyl-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 82354408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).