N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide

C10H19NO3 — CID 89442402

IUPACN,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCO)CCCO
InChIInChI=1S/C10H19NO3/c1-9(2)10(14)11(5-3-7-12)6-4-8-13/h12-13H,1,3-8H2,2H3
InChIKeyDJVDFCOWGVVFGI-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.16
Rot. Bonds7

About N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide

N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 89442402) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID89442402
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)N(CCCO)CCCO
InChIInChI=1S/C10H19NO3/c1-9(2)10(14)11(5-3-7-12)6-4-8-13/h12-13H,1,3-8H2,2H3
InChIKeyDJVDFCOWGVVFGI-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide (CID 89442402) is N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)N(CCCO)CCCO.
What is the InChIKey of N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is DJVDFCOWGVVFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-9(2)10(14)11(5-3-7-12)6-4-8-13/h12-13H,1,3-8H2,2H3.
What are the key properties of N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide?
N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 0.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 89442402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).