(E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide

C10H18N2O4 — CID 19962226

IUPAC(E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide
SMILESCC(O)CNC(=O)/C=C/C(=O)NCC(C)O
InChIInChI=1S/C10H18N2O4/c1-7(13)5-11-9(15)3-4-10(16)12-6-8(2)14/h3-4,7-8,13-14H,5-6H2,1-2H3,(H,11,15)(H,12,16)/b4-3+
InChIKeyQAFYNFZQSZWJLZ-ONEGZZNKSA-N
MW230.26 g/mol
LogP-1.46
Rot. Bonds6

About (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide

(E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide (PubChem CID 19962226) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide.

Molecular Properties

Compound Name(E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide
PubChem CID19962226
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide
SMILESCC(O)CNC(=O)/C=C/C(=O)NCC(C)O
InChIInChI=1S/C10H18N2O4/c1-7(13)5-11-9(15)3-4-10(16)12-6-8(2)14/h3-4,7-8,13-14H,5-6H2,1-2H3,(H,11,15)(H,12,16)/b4-3+
InChIKeyQAFYNFZQSZWJLZ-ONEGZZNKSA-N
XLogP-1.46
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide?
The IUPAC name of (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide (CID 19962226) is (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide.
What is the SMILES notation for (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide?
The canonical SMILES for (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide is CC(O)CNC(=O)/C=C/C(=O)NCC(C)O.
What is the InChIKey of (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide?
The InChIKey is QAFYNFZQSZWJLZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-7(13)5-11-9(15)3-4-10(16)12-6-8(2)14/h3-4,7-8,13-14H,5-6H2,1-2H3,(H,11,15)(H,12,16)/b4-3+.
What are the key properties of (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide?
(E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide has a molecular weight of 230.26 g/mol, XLogP of -1.46, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N'-bis(2-hydroxypropyl)but-2-enediamide is sourced from PubChem (CID 19962226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).