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

C10H18N2O4 — CID 54217503

IUPACN,N'-bis(2-hydroxypropyl)but-2-enediamide
SMILESCC(O)CNC(=O)C=CC(=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)
InChIKeyQAFYNFZQSZWJLZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.46
Rot. Bonds6

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

N,N'-bis(2-hydroxypropyl)but-2-enediamide (PubChem CID 54217503) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is N,N'-bis(2-hydroxypropyl)but-2-enediamide.

Molecular Properties

Compound NameN,N'-bis(2-hydroxypropyl)but-2-enediamide
PubChem CID54217503
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC NameN,N'-bis(2-hydroxypropyl)but-2-enediamide
SMILESCC(O)CNC(=O)C=CC(=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)
InChIKeyQAFYNFZQSZWJLZ-UHFFFAOYSA-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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Related Compounds

N,N'-Bis(2-hydroxyethyl)-N'-acryloyl-1,3-diaminopropane
CID 131338
N-(2-hydroxypropyl)acrylamide
CID 10197698
N-2-hydroxyethylcrotonamide
CID 17765019
(E)-N-(3,3,3-trifluoro-2-hydroxypropyl)but-2-enamide
CID 103755858
(E)-N-(3,3-difluoro-2-hydroxypropyl)but-2-enamide
CID 103769589
N-{3-[bis(2-hydroxyethyl)amino]propyl}prop-2-enamide
CID 9942587
(E)-N,N'-bis(2-hydroxyethyl)but-2-enediamide
CID 10219859
(E)-N-(2-hydroxypropyl)but-2-enamide
CID 17765012
[3-[Dimethyl-[3-(prop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium dichloride
CID 18914826
[3-[Dimethyl-[3-(prop-2-enoylamino)propyl]azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 18914827
2-Propenamide, N,N'-(2-hydroxy-1,3-propanediyl)bis-
CID 18997359
1-[3-[[3-[3-(2,5-Dioxopyrrol-1-yl)propylamino]-2-hydroxypropyl]amino]propyl]pyrrole-2,5-dione
CID 19438623

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2-hydroxypropyl)but-2-enediamide?
The IUPAC name of N,N'-bis(2-hydroxypropyl)but-2-enediamide (CID 54217503) is N,N'-bis(2-hydroxypropyl)but-2-enediamide.
What is the SMILES notation for N,N'-bis(2-hydroxypropyl)but-2-enediamide?
The canonical SMILES for N,N'-bis(2-hydroxypropyl)but-2-enediamide is CC(O)CNC(=O)C=CC(=O)NCC(C)O.
What is the InChIKey of N,N'-bis(2-hydroxypropyl)but-2-enediamide?
The InChIKey is QAFYNFZQSZWJLZ-UHFFFAOYSA-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).
What are the key properties of N,N'-bis(2-hydroxypropyl)but-2-enediamide?
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 N,N'-bis(2-hydroxypropyl)but-2-enediamide is sourced from PubChem (CID 54217503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).