2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide

C11H19N3O3 — CID 156724075

IUPAC2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide
SMILESCO/C(N)=C/C(=C\N)C1(OCC(N)=O)CCC1
InChIInChI=1S/C11H19N3O3/c1-16-10(14)5-8(6-12)11(3-2-4-11)17-7-9(13)15/h5-6H,2-4,7,12,14H2,1H3,(H2,13,15)/b8-6+,10-5+
InChIKeyRKDHSDDKNCHHTO-SOYUKNQTSA-N
MW241.29 g/mol
LogP-0.30
Rot. Bonds6

About 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide

2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide (PubChem CID 156724075) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide.

Molecular Properties

Compound Name2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide
PubChem CID156724075
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide
SMILESCO/C(N)=C/C(=C\N)C1(OCC(N)=O)CCC1
InChIInChI=1S/C11H19N3O3/c1-16-10(14)5-8(6-12)11(3-2-4-11)17-7-9(13)15/h5-6H,2-4,7,12,14H2,1H3,(H2,13,15)/b8-6+,10-5+
InChIKeyRKDHSDDKNCHHTO-SOYUKNQTSA-N
XLogP-0.30
TPSA113.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

S-ethyl (Z)-3-amino-3-methoxyprop-2-enethioate
CID 88837286
N-(2-amino-2-oxoethoxy)-2-(1-methoxycyclobutyl)acetamide
CID 103526839
2-(4-methyloxan-4-yl)oxyacetamide
CID 152901349
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734
1-[(1Z,3E)-1,4-diamino-4-methoxybuta-1,3-dienyl]cyclopropane-1-carbaldehyde;methanol
CID 155587386
1-methoxycyclobutane-1-carboxamide;1-methoxy-N-methylcyclobutane-1-carboxamide
CID 160973197
methyl 1-prop-2-enoxycyclohexane-1-carboxylate
CID 130466447
N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465
bis(2-amino-2-oxoethyl) oxalate
CID 91566906
2-methoxy-1-(1-methoxycyclopentyl)ethanone
CID 104610256
1-(1-methoxycycloheptyl)ethanone
CID 83225564
2-[(4,4-dimethylcyclohexyl)amino]oxyacetamide
CID 112672857

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide?
The IUPAC name of 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide (CID 156724075) is 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide.
What is the SMILES notation for 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide?
The canonical SMILES for 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide is CO/C(N)=C/C(=C\N)C1(OCC(N)=O)CCC1.
What is the InChIKey of 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide?
The InChIKey is RKDHSDDKNCHHTO-SOYUKNQTSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-16-10(14)5-8(6-12)11(3-2-4-11)17-7-9(13)15/h5-6H,2-4,7,12,14H2,1H3,(H2,13,15)/b8-6+,10-5+.
What are the key properties of 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide?
2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide has a molecular weight of 241.29 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1E,3E)-1,4-diamino-4-methoxybuta-1,3-dien-2-yl]cyclobutyl]oxyacetamide is sourced from PubChem (CID 156724075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).