(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide

C15H22N2O2 — CID 82354337

IUPAC(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC(CC)CN)cc1
InChIInChI=1S/C15H22N2O2/c1-3-13(11-16)17-15(18)10-7-12-5-8-14(9-6-12)19-4-2/h5-10,13H,3-4,11,16H2,1-2H3,(H,17,18)/b10-7+
InChIKeyYMDRIZRFHRGLBH-JXMROGBWSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds7

About (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide

(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide (PubChem CID 82354337) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
PubChem CID82354337
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C/C(=O)NC(CC)CN)cc1
InChIInChI=1S/C15H22N2O2/c1-3-13(11-16)17-15(18)10-7-12-5-8-14(9-6-12)19-4-2/h5-10,13H,3-4,11,16H2,1-2H3,(H,17,18)/b10-7+
InChIKeyYMDRIZRFHRGLBH-JXMROGBWSA-N
XLogP1.95
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(1-aminobutan-2-yl)-3-(4-propoxyphenyl)prop-2-enamide
CID 82354335
methyl 2-[3-(4-ethoxyphenyl)prop-2-enoylamino]propanoate
CID 76872215
(E)-N-(1-aminobutan-2-yl)-3-(4-nitrophenyl)prop-2-enamide
CID 65193675
methyl (2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9277862
3-(4-ethoxyphenyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]prop-2-enamide
CID 79252983
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxypropanoic acid
CID 80750638
(E)-N-(1-aminobutan-2-yl)-3-(3-methoxyphenyl)prop-2-enamide
CID 82354320
(2R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-N-ethylpropanamide
CID 8752123
(2S,3R)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-3-hydroxybutanoic acid
CID 104965044
(1E,6E)-1,7-bis(4-ethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 11143033
[(2S)-2-[[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8937578
2-[3-(4-ethoxyphenyl)prop-2-enoylamino]oxyacetic acid
CID 76873636

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide (CID 82354337) is (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide is CCOc1ccc(/C=C/C(=O)NC(CC)CN)cc1.
What is the InChIKey of (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
The InChIKey is YMDRIZRFHRGLBH-JXMROGBWSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-13(11-16)17-15(18)10-7-12-5-8-14(9-6-12)19-4-2/h5-10,13H,3-4,11,16H2,1-2H3,(H,17,18)/b10-7+.
What are the key properties of (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide?
(E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide has a molecular weight of 262.35 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-aminobutan-2-yl)-3-(4-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 82354337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).