2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane

C10H18N2O3 — CID 162126107

IUPAC2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
SMILESC.C=CCNC(=O)C(O)C(=O)NCC=C
InChIInChI=1S/C9H14N2O3.CH4/c1-3-5-10-8(13)7(12)9(14)11-6-4-2;/h3-4,7,12H,1-2,5-6H2,(H,10,13)(H,11,14);1H4
InChIKeyZIAYBKMAFHTOHW-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.41
Rot. Bonds6

About 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane

2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane (PubChem CID 162126107) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane.

Molecular Properties

Compound Name2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
PubChem CID162126107
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane
SMILESC.C=CCNC(=O)C(O)C(=O)NCC=C
InChIInChI=1S/C9H14N2O3.CH4/c1-3-5-10-8(13)7(12)9(14)11-6-4-2;/h3-4,7,12H,1-2,5-6H2,(H,10,13)(H,11,14);1H4
InChIKeyZIAYBKMAFHTOHW-UHFFFAOYSA-N
XLogP-0.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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8Fzb7U9ryw
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N-[3-(diethylamino)-2-hydroxypropyl]prop-2-enamide
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N-[3-(dimethylamino)-2-hydroxypropyl]prop-2-enamide
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2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
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2-hydroxy-N-(1-hydroxyprop-2-enyl)propanamide
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2-Hydroxy-3-(prop-2-enylamino)propanamide
CID 88845668
3-amino-2-hydroxy-N-prop-2-enylpentanamide
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(2S)-2-hydroxy-N-methyl-3-(prop-2-enylamino)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane?
The IUPAC name of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane (CID 162126107) is 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane.
What is the SMILES notation for 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane?
The canonical SMILES for 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane is C.C=CCNC(=O)C(O)C(=O)NCC=C.
What is the InChIKey of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane?
The InChIKey is ZIAYBKMAFHTOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3.CH4/c1-3-5-10-8(13)7(12)9(14)11-6-4-2;/h3-4,7,12H,1-2,5-6H2,(H,10,13)(H,11,14);1H4.
What are the key properties of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane?
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane has a molecular weight of 214.26 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide;methane is sourced from PubChem (CID 162126107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).