2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide

C11H22N2O3 — CID 107865308

IUPAC2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(CC)(CO)CO
InChIInChI=1S/C11H22N2O3/c1-4-6-12-10(16)9(3)13-11(5-2,7-14)8-15/h4,9,13-15H,1,5-8H2,2-3H3,(H,12,16)
InChIKeyMZITZLHXYZIIGQ-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.60
Rot. Bonds8

About 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide

2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide (PubChem CID 107865308) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
PubChem CID107865308
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)NC(CC)(CO)CO
InChIInChI=1S/C11H22N2O3/c1-4-6-12-10(16)9(3)13-11(5-2,7-14)8-15/h4,9,13-15H,1,5-8H2,2-3H3,(H,12,16)
InChIKeyMZITZLHXYZIIGQ-UHFFFAOYSA-N
XLogP-0.60
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-prop-2-enylbutanamide
CID 20811204
(2R)-2-methyl-N-prop-2-enylbutanamide
CID 55303611
N,N-diethyl-2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]propanamide
CID 114010536
2-methyl-N-prop-2-enylpropanamide;dihydrochloride
CID 174572104
2-ethyl-2-(prop-2-enylamino)butan-1-ol
CID 62517970
2-ethyl-2-(prop-2-enylamino)propane-1,3-diol
CID 20751100
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-prop-2-ynylpropanamide
CID 107852454
2-[3-(diethylamino)propylamino]-N-prop-2-enylpropanamide
CID 43087344
(2S)-2-chloro-N-prop-2-enylpropanamide
CID 14203945
2-[[3-(diethylamino)-3-oxopropyl]amino]-N-prop-2-enylpropanamide
CID 113225823
2-[[1-(hydroxymethyl)cyclohexyl]amino]-N-prop-2-enylpropanamide
CID 55082317
2-hydroxy-3-[[1-oxo-1-(prop-2-enylamino)propan-2-yl]amino]propanamide
CID 106174665

Frequently Asked Questions

What is the IUPAC name of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide?
The IUPAC name of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide (CID 107865308) is 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)NC(CC)(CO)CO.
What is the InChIKey of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide?
The InChIKey is MZITZLHXYZIIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-12-10(16)9(3)13-11(5-2,7-14)8-15/h4,9,13-15H,1,5-8H2,2-3H3,(H,12,16).
What are the key properties of 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide?
2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide has a molecular weight of 230.31 g/mol, XLogP of -0.60, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-N-prop-2-enylpropanamide is sourced from PubChem (CID 107865308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).