(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide

C11H20NO4P — CID 134860935

IUPAC(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
SMILESCCOP(=O)(C/C=C/C(=O)NC1CC1)OCC
InChIInChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)9-5-6-11(13)12-10-7-8-10/h5-6,10H,3-4,7-9H2,1-2H3,(H,12,13)/b6-5+
InChIKeyOHURZFNOKBTZRL-AATRIKPKSA-N
MW261.26 g/mol
LogP2.09
Rot. Bonds8

About (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide

(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide (PubChem CID 134860935) has the molecular formula C11H20NO4P and a molecular weight of 261.26 g/mol. Its IUPAC name is (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
PubChem CID134860935
Molecular FormulaC11H20NO4P
Molecular Weight261.26 g/mol
Exact Mass261.11
IUPAC Name(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide
SMILESCCOP(=O)(C/C=C/C(=O)NC1CC1)OCC
InChIInChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)9-5-6-11(13)12-10-7-8-10/h5-6,10H,3-4,7-9H2,1-2H3,(H,12,13)/b6-5+
InChIKeyOHURZFNOKBTZRL-AATRIKPKSA-N
XLogP2.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-diethoxyphosphoryl-N-(4-hydroxycyclohexyl)acetamide
CID 86592927
2-diethoxyphosphoryl-N-[(1S,3R)-3-[(2-diethoxyphosphorylacetyl)amino]cyclopentyl]acetamide
CID 71511611
(E)-N-cyclopropylnon-2-enamide
CID 144516886
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
(E)-4-amino-N-(4-methylcyclohexyl)but-2-enamide
CID 130533152
2-trimethylsilylethyl (E)-4-diethoxyphosphorylbut-2-enoate
CID 11001810
(E)-4-(methylamino)-N-(4-propan-2-ylcyclohexyl)but-2-enamide
CID 134557623
(E)-N-[(1S,3R)-3-[[(E)-dec-2-enoyl]amino]cyclopentyl]dec-2-enamide
CID 144516859
(E)-4-bromo-N-cyclopentylbut-2-enamide
CID 153266331
(E)-4-[(4-ethylcyclohexyl)amino]-4-oxobut-2-enoic acid
CID 82239004
(E)-N-(azepan-4-yl)pent-2-enamide;hydrochloride
CID 131245624
methyl 2-[[(E)-4-diethoxyphosphorylbut-2-enyl]amino]propanoate
CID 19801597

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide (CID 134860935) is (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide is CCOP(=O)(C/C=C/C(=O)NC1CC1)OCC.
What is the InChIKey of (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide?
The InChIKey is OHURZFNOKBTZRL-AATRIKPKSA-N. The full InChI is InChI=1S/C11H20NO4P/c1-3-15-17(14,16-4-2)9-5-6-11(13)12-10-7-8-10/h5-6,10H,3-4,7-9H2,1-2H3,(H,12,13)/b6-5+.
What are the key properties of (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide?
(E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide has a molecular weight of 261.26 g/mol, XLogP of 2.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-4-diethoxyphosphorylbut-2-enamide is sourced from PubChem (CID 134860935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).