ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide

C13H23N3O3 — CID 142338816

IUPACethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide
SMILESCC.NC(=O)C(Cc1ccc(O)cc1)NCCNO
InChIInChI=1S/C11H17N3O3.C2H6/c12-11(16)10(13-5-6-14-17)7-8-1-3-9(15)4-2-8;1-2/h1-4,10,13-15,17H,5-7H2,(H2,12,16);1-2H3
InChIKeyKFFOYJHYKTYCKD-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.38
Rot. Bonds7

About ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide

ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide (PubChem CID 142338816) has the molecular formula C13H23N3O3 and a molecular weight of 269.35 g/mol. Its IUPAC name is ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound Nameethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide
PubChem CID142338816
Molecular FormulaC13H23N3O3
Molecular Weight269.35 g/mol
Exact Mass269.17
IUPAC Nameethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide
SMILESCC.NC(=O)C(Cc1ccc(O)cc1)NCCNO
InChIInChI=1S/C11H17N3O3.C2H6/c12-11(16)10(13-5-6-14-17)7-8-1-3-9(15)4-2-8;1-2/h1-4,10,13-15,17H,5-7H2,(H2,12,16);1-2H3
InChIKeyKFFOYJHYKTYCKD-UHFFFAOYSA-N
XLogP0.38
TPSA107.61 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide;methanimidamide;N-methylpropan-1-amine
CID 142338785
2-hydrazinyl-3-(4-hydroxyphenyl)propanamide
CID 144742434
(2S)-2-[(2-acetamidoacetyl)amino]-3-(4-hydroxyphenyl)propanamide
CID 172868534
3-(4-hydroxyphenyl)-2-[3-(4-hydroxyphenyl)propanoylamino]propanamide
CID 71080092
azane;3-(4-hydroxyphenyl)-2-(methylamino)propanamide;3-(4-hydroxyphenyl)-2-(methylamino)propanoic acid
CID 158661642
(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2R)-2-(propylamino)-3-sulfanylpropanoyl]amino]propanoyl]amino]propanamide
CID 71696313
N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 19980707
(2R)-2-amino-3-(4-hydroxyphenyl)propanamide
CID 10511575
2-amino-N-[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]acetamide
CID 18682976
(2S)-2-[2-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]hydrazinyl]-3-hydroxypropanoic acid
CID 91120365
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-(4-hydroxyphenyl)propanamide
CID 4667426
2-amino-3-(4-hydroxyphenyl)propanamide;hydrobromide
CID 174991066

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide (CID 142338816) is ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide is CC.NC(=O)C(Cc1ccc(O)cc1)NCCNO.
What is the InChIKey of ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is KFFOYJHYKTYCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3.C2H6/c12-11(16)10(13-5-6-14-17)7-8-1-3-9(15)4-2-8;1-2/h1-4,10,13-15,17H,5-7H2,(H2,12,16);1-2H3.
What are the key properties of ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide?
ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 269.35 g/mol, XLogP of 0.38, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-(hydroxyamino)ethylamino]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 142338816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).