3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide

C14H18N2O3 — CID 106166029

IUPAC3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
SMILESCCc1ccc(/C=C/C(=O)NCC(O)C(N)=O)cc1
InChIInChI=1S/C14H18N2O3/c1-2-10-3-5-11(6-4-10)7-8-13(18)16-9-12(17)14(15)19/h3-8,12,17H,2,9H2,1H3,(H2,15,19)(H,16,18)/b8-7+
InChIKeyQIUJYOIGFMIZMG-BQYQJAHWSA-N
MW262.31 g/mol
LogP0.22
Rot. Bonds6

About 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide

3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide (PubChem CID 106166029) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide.

Molecular Properties

Compound Name3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
PubChem CID106166029
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide
SMILESCCc1ccc(/C=C/C(=O)NCC(O)C(N)=O)cc1
InChIInChI=1S/C14H18N2O3/c1-2-10-3-5-11(6-4-10)7-8-13(18)16-9-12(17)14(15)19/h3-8,12,17H,2,9H2,1H3,(H2,15,19)(H,16,18)/b8-7+
InChIKeyQIUJYOIGFMIZMG-BQYQJAHWSA-N
XLogP0.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethylphenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055669
3-(4-ethylphenyl)-N-(4-hydroxy-2-methylbutyl)prop-2-enamide
CID 77112880
3-(4-ethylphenyl)-N-(2-hydroxy-3-methoxypropyl)prop-2-enamide
CID 77024262
5-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-4-methylpentanoic acid
CID 82010200
ethyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]acetate
CID 60817403
N-(1,3-dihydroxypropan-2-yl)-3-(4-ethylphenyl)prop-2-enamide
CID 77064988
(E)-3-(4-ethylphenyl)prop-2-enamide
CID 19347567
methyl (2R)-2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]propanoate
CID 113257899
3-(4-ethylphenyl)-N-propan-2-ylprop-2-enamide
CID 76873451
(E)-3-(4-ethylphenyl)-N-hydroxyprop-2-enamide;propan-2-one
CID 143411738
(E)-N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-[4-(dimethylamino)phenyl]prop-2-enamide
CID 39962305
methyl 2-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 43407215

Frequently Asked Questions

What is the IUPAC name of 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide?
The IUPAC name of 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide (CID 106166029) is 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide.
What is the SMILES notation for 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide?
The canonical SMILES for 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide is CCc1ccc(/C=C/C(=O)NCC(O)C(N)=O)cc1.
What is the InChIKey of 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide?
The InChIKey is QIUJYOIGFMIZMG-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-10-3-5-11(6-4-10)7-8-13(18)16-9-12(17)14(15)19/h3-8,12,17H,2,9H2,1H3,(H2,15,19)(H,16,18)/b8-7+.
What are the key properties of 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide?
3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide has a molecular weight of 262.31 g/mol, XLogP of 0.22, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(E)-3-(4-ethylphenyl)prop-2-enoyl]amino]-2-hydroxypropanamide is sourced from PubChem (CID 106166029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).