N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide

C12H20N2O3 — CID 108516775

IUPACN-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NC(CC)CO
InChIInChI=1S/C12H20N2O3/c1-4-7-14(8-5-2)12(17)11(16)13-10(6-3)9-15/h4-5,10,15H,1-2,6-9H2,3H3,(H,13,16)
InChIKeyFPJWVWYRWSGEBM-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.07
Rot. Bonds7

About N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide

N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide (PubChem CID 108516775) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide
PubChem CID108516775
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide
SMILESC=CCN(CC=C)C(=O)C(=O)NC(CC)CO
InChIInChI=1S/C12H20N2O3/c1-4-7-14(8-5-2)12(17)11(16)13-10(6-3)9-15/h4-5,10,15H,1-2,6-9H2,3H3,(H,13,16)
InChIKeyFPJWVWYRWSGEBM-UHFFFAOYSA-N
XLogP0.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]but-3-enamide
CID 104868905
2-[pentan-3-ylcarbamoyl(prop-2-enyl)amino]acetic acid
CID 79276869
N-(1-hydroxybutan-2-yl)-2-(prop-2-enylamino)acetamide
CID 79285561
N-[(2R)-1-hydroxybutan-2-yl]-2-methylbutanamide
CID 103919845
3-[(2S)-1-hydroxybutan-2-yl]-1,1-dimethylurea
CID 104981793
1-(1-hydroxybutan-2-yl)-3-methylurea
CID 115279269
1-ethyl-3-methyl-1-prop-2-enylurea
CID 115597941
1-(1-hydroxybutan-2-yl)-3-[(E)-prop-1-enyl]urea
CID 108909582
1-[(2S)-1-hydroxybutan-2-yl]-3-propylurea
CID 104981803
4-hydroxy-N-(1-hydroxybutan-2-yl)butanamide
CID 79201131
N-(1-hydroxybutan-2-yl)pentanamide
CID 43417907
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide (CID 108516775) is N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide is C=CCN(CC=C)C(=O)C(=O)NC(CC)CO.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide?
The InChIKey is FPJWVWYRWSGEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-7-14(8-5-2)12(17)11(16)13-10(6-3)9-15/h4-5,10,15H,1-2,6-9H2,3H3,(H,13,16).
What are the key properties of N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide?
N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide has a molecular weight of 240.30 g/mol, XLogP of 0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-N',N'-bis(prop-2-enyl)oxamide is sourced from PubChem (CID 108516775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).