2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide

C12H21NO3 — CID 143479140

IUPAC2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide
SMILESC=CC(=C)CN(CCC)C(=O)C(O)C(C)O
InChIInChI=1S/C12H21NO3/c1-5-7-13(8-9(3)6-2)12(16)11(15)10(4)14/h6,10-11,14-15H,2-3,5,7-8H2,1,4H3
InChIKeyVZSHBOOFBAUYHV-UHFFFAOYSA-N
MW227.30 g/mol
LogP0.71
Rot. Bonds7

About 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide

2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide (PubChem CID 143479140) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide.

Molecular Properties

Compound Name2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide
PubChem CID143479140
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide
SMILESC=CC(=C)CN(CCC)C(=O)C(O)C(C)O
InChIInChI=1S/C12H21NO3/c1-5-7-13(8-9(3)6-2)12(16)11(15)10(4)14/h6,10-11,14-15H,2-3,5,7-8H2,1,4H3
InChIKeyVZSHBOOFBAUYHV-UHFFFAOYSA-N
XLogP0.71
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2,3-dihydroxy-N-methyl-N-prop-2-enylbutanamide
CID 143154091
2-methylidene-N,N-di(propan-2-yl)but-3-en-1-amine
CID 14644963
(2S)-2-amino-3-methyl-N,N-dipropylbutanamide
CID 22690786
(2R,3S)-2,3-dihydroxy-N-methyl-N-pentylbutanamide
CID 143155247
2,2-dichloro-N-prop-2-enyl-N-propylacetamide
CID 21403948
N-propan-2-yl-N-propylprop-2-enamide
CID 43616586
(2S)-2-amino-3-methyl-N-[2-(methylamino)-2-oxoethyl]-N-propylbutanamide
CID 61157628
2-amino-3,3-dimethyl-N-prop-2-enyl-N-propylbutanamide
CID 112555851
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
2-[2-hydroxypropyl(methyl)amino]-N,N-dipropylacetamide
CID 62334661
1-decyl-2,2-didodecyl-1-(2-methylidenebut-3-enyl)hydrazine
CID 168880735
N-(2-chloroethyl)-2-methyl-N-propylbutanamide
CID 63393003

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide?
The IUPAC name of 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide (CID 143479140) is 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide.
What is the SMILES notation for 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide?
The canonical SMILES for 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide is C=CC(=C)CN(CCC)C(=O)C(O)C(C)O.
What is the InChIKey of 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide?
The InChIKey is VZSHBOOFBAUYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-5-7-13(8-9(3)6-2)12(16)11(15)10(4)14/h6,10-11,14-15H,2-3,5,7-8H2,1,4H3.
What are the key properties of 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide?
2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide has a molecular weight of 227.30 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N-(2-methylidenebut-3-enyl)-N-propylbutanamide is sourced from PubChem (CID 143479140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).