(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide

C14H20N2O2 — CID 82354263

IUPAC(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCOCCN)cc1
InChIInChI=1S/C14H20N2O2/c1-12-2-4-13(5-3-12)6-7-14(17)16-9-11-18-10-8-15/h2-7H,8-11,15H2,1H3,(H,16,17)/b7-6+
InChIKeyJPWQWBJQTWNHRA-VOTSOKGWSA-N
MW248.33 g/mol
LogP1.10
Rot. Bonds7

About (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 82354263) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID82354263
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)NCCOCCN)cc1
InChIInChI=1S/C14H20N2O2/c1-12-2-4-13(5-3-12)6-7-14(17)16-9-11-18-10-8-15/h2-7H,8-11,15H2,1H3,(H,16,17)/b7-6+
InChIKeyJPWQWBJQTWNHRA-VOTSOKGWSA-N
XLogP1.10
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-phenylprop-2-enamide;hydrochloride
CID 169083645
(E)-3-(4-methylphenyl)-N-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethyl]prop-2-enamide
CID 2180886
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanamine;(E)-N-(2-methoxyethyl)-3-phenylprop-2-enamide;(E)-3-phenylprop-2-enoyl chloride
CID 158274311
tert-butyl N-[2-[2-[[(E)-3-(4-methylphenyl)prop-2-enoyl]amino]ethylamino]-2-oxoethyl]carbamate
CID 108916281
(E)-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide;hydrochloride
CID 175804582
3-(4-methylphenyl)-N-pentylprop-2-enamide
CID 3568321
(E)-3-(4-methylphenyl)-N-octylprop-2-enamide
CID 6042816
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-methylbenzamide;ethane
CID 143583879
3-(4-methylphenyl)-N-octylprop-2-enamide
CID 4229517
(E)-3-(4-methylphenyl)-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]prop-2-enamide
CID 90244607
N-[2-(2-aminoethoxy)ethyl]-2,5-dimethylbenzamide
CID 63754835
(E)-N-(4-methylpentyl)-3-(4-methylphenyl)prop-2-enamide
CID 55593221

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide (CID 82354263) is (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)NCCOCCN)cc1.
What is the InChIKey of (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is JPWQWBJQTWNHRA-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-12-2-4-13(5-3-12)6-7-14(17)16-9-11-18-10-8-15/h2-7H,8-11,15H2,1H3,(H,16,17)/b7-6+.
What are the key properties of (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 248.33 g/mol, XLogP of 1.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-aminoethoxy)ethyl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 82354263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).