2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide

C12H16N2O2 — CID 114332131

IUPAC2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-3-11(13)12(16)14-8-9-4-6-10(15)7-5-9/h2,4-7,11,15H,1,3,8,13H2,(H,14,16)
InChIKeyTUQKMWCYCGDUDB-UHFFFAOYSA-N
MW220.27 g/mol
LogP0.91
Rot. Bonds5

About 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide

2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide (PubChem CID 114332131) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide
PubChem CID114332131
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide
SMILESC=CCC(N)C(=O)NCc1ccc(O)cc1
InChIInChI=1S/C12H16N2O2/c1-2-3-11(13)12(16)14-8-9-4-6-10(15)7-5-9/h2,4-7,11,15H,1,3,8,13H2,(H,14,16)
InChIKeyTUQKMWCYCGDUDB-UHFFFAOYSA-N
XLogP0.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-(1H-pyrrol-3-ylmethyl)pent-4-enamide
CID 106384829
3-amino-1-(4-hydroxyphenyl)hex-5-en-2-one
CID 116607002
(2S)-2-amino-N-[(4-hydroxyphenyl)methyl]hexanamide
CID 67015275
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
2-amino-3-(4-hydroxyphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 76892661
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 61148298
2-amino-3-(4-hydroxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 175450549
(2R)-2-amino-N-[(4-hydroxyphenyl)methyl]-2-phenylacetamide
CID 96927089
2-amino-N-[(1-methylpyrrol-2-yl)methyl]pent-4-enamide
CID 106416709
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
CID 106176820
N-[(4-hydroxyphenyl)methyl]-2-methoxypropanamide
CID 115588691

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide?
The IUPAC name of 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide (CID 114332131) is 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide.
What is the SMILES notation for 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide?
The canonical SMILES for 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide is C=CCC(N)C(=O)NCc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide?
The InChIKey is TUQKMWCYCGDUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-3-11(13)12(16)14-8-9-4-6-10(15)7-5-9/h2,4-7,11,15H,1,3,8,13H2,(H,14,16).
What are the key properties of 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide?
2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide has a molecular weight of 220.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-hydroxyphenyl)methyl]pent-4-enamide is sourced from PubChem (CID 114332131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).