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

C9H14N2O3 — CID 59934483

IUPAC2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
SMILESC=CCNC(=O)C(O)C(=O)NCC=C
InChIInChI=1S/C9H14N2O3/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)
InChIKeyNJAIDYVXPYAXQK-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.05
Rot. Bonds6

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

2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide (PubChem CID 59934483) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide.

Molecular Properties

Compound Name2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
PubChem CID59934483
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide
SMILESC=CCNC(=O)C(O)C(=O)NCC=C
InChIInChI=1S/C9H14N2O3/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)
InChIKeyNJAIDYVXPYAXQK-UHFFFAOYSA-N
XLogP-1.05
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.05
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

2,3-dihydroxy-N-prop-2-enylpropanamide
CID 87997467
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
2-methoxy-N-prop-2-enylpropanamide
CID 100983783
(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxy-N-prop-2-enylhexanamide
CID 22084455
2,3-dimethyl-4-oxo-4-(prop-2-enylamino)butanoic acid
CID 58883098
2-(2-chloroethyl)-N,N'-bis(prop-2-enyl)propanediamide
CID 126612629
[1-oxo-1-(prop-2-enylamino)but-3-en-2-yl] formate
CID 173049025
2,3-dihydroxy-N',2-bis(prop-2-enyl)butanediamide
CID 156904179
2-amino-2-cyclopropyl-N-prop-2-enylacetamide
CID 131227797

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide?
The IUPAC name of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide (CID 59934483) is 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide.
What is the SMILES notation for 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide?
The canonical SMILES for 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide is C=CCNC(=O)C(O)C(=O)NCC=C.
What is the InChIKey of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide?
The InChIKey is NJAIDYVXPYAXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/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).
What are the key properties of 2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide?
2-hydroxy-N,N'-bis(prop-2-enyl)propanediamide has a molecular weight of 198.22 g/mol, XLogP of -1.05, 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 is sourced from PubChem (CID 59934483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).