2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide

C13H19NO5 — CID 173429156

IUPAC2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide
SMILESCC=C(OCC1CO1)C(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C13H19NO5/c1-2-12(19-8-11-7-18-11)13(15)14(3-9-5-16-9)4-10-6-17-10/h2,9-11H,3-8H2,1H3
InChIKeyKZKZNTRZOKFXEN-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.07
Rot. Bonds8

About 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide

2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide (PubChem CID 173429156) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide.

Molecular Properties

Compound Name2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide
PubChem CID173429156
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide
SMILESCC=C(OCC1CO1)C(=O)N(CC1CO1)CC1CO1
InChIInChI=1S/C13H19NO5/c1-2-12(19-8-11-7-18-11)13(15)14(3-9-5-16-9)4-10-6-17-10/h2,9-11H,3-8H2,1H3
InChIKeyKZKZNTRZOKFXEN-UHFFFAOYSA-N
XLogP-0.07
TPSA67.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(oxiran-2-ylmethoxy)pent-2-enamide
CID 89415069
N-ethyl-2-methyl-N-(oxiran-2-ylmethyl)but-2-enamide
CID 173404632
bis(oxiran-2-ylmethyl) carbonate
CID 13170402
1,1,3,3-tetrakis(oxiran-2-ylmethyl)urea
CID 21422545
oxiran-2-ylmethyl 2-butoxybut-2-enoate
CID 174830768
2-chloro-N,N-bis(oxiran-2-ylmethyl)prop-2-enamide
CID 88735319
1-ethyl-1-(oxiran-2-ylmethyl)urea
CID 141285145
[(2S)-oxiran-2-yl]methyl 2,2-dimethylpropanoate
CID 11768834
1-O-ethyl 4-O-(oxiran-2-ylmethyl) (Z)-but-2-enedioate
CID 6433943
2-(oxiran-2-ylmethoxy)ethyl 2-methylbut-2-enoate
CID 174745947
bis(oxiran-2-ylmethyl) cyclopropane-1,2-dicarboxylate
CID 23069347
[(2S)-oxiran-2-yl]methyl (2S)-oxirane-2-carboxylate
CID 129390267

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
The IUPAC name of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide (CID 173429156) is 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide.
What is the SMILES notation for 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
The canonical SMILES for 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide is CC=C(OCC1CO1)C(=O)N(CC1CO1)CC1CO1.
What is the InChIKey of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
The InChIKey is KZKZNTRZOKFXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-2-12(19-8-11-7-18-11)13(15)14(3-9-5-16-9)4-10-6-17-10/h2,9-11H,3-8H2,1H3.
What are the key properties of 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide?
2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide has a molecular weight of 269.30 g/mol, XLogP of -0.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethoxy)-N,N-bis(oxiran-2-ylmethyl)but-2-enamide is sourced from PubChem (CID 173429156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).