(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide

C11H19NO2 — CID 103742481

IUPAC(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C11H19NO2/c1-3-4-10(13)12-9-11(2)5-7-14-8-6-11/h3-4H,5-9H2,1-2H3,(H,12,13)/b4-3+
InChIKeyCCIUDJLHCQBNNT-ONEGZZNKSA-N
MW197.28 g/mol
LogP1.50
Rot. Bonds3

About (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide

(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide (PubChem CID 103742481) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
PubChem CID103742481
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide
SMILESC/C=C/C(=O)NCC1(C)CCOCC1
InChIInChI=1S/C11H19NO2/c1-3-4-10(13)12-9-11(2)5-7-14-8-6-11/h3-4H,5-9H2,1-2H3,(H,12,13)/b4-3+
InChIKeyCCIUDJLHCQBNNT-ONEGZZNKSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(4-methyloxan-4-yl)methyl]but-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

(E)-N-[(1-methylcyclohexyl)methyl]but-2-enamide
CID 103753261
2,2-dimethyl-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742498
1-cyclopropyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742048
1-amino-N-[(4-methyloxan-4-yl)methyl]cyclopentane-1-carboxamide
CID 103798079
(2R)-2-amino-N-[(4-methyloxan-4-yl)methyl]pentanamide
CID 103798081
2-(ethylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103812942
N-[(3-methyloxolan-3-yl)methyl]nona-2,4-dienamide
CID 123969061
2-(cyclopropylamino)-N-[(4-methyloxan-4-yl)methyl]acetamide
CID 103843990
1-carbamothioyl-N-[(4-methyloxan-4-yl)methyl]cyclobutane-1-carboxamide
CID 114125500
2-cyano-N-[(4-methyloxan-4-yl)methyl]propanamide
CID 103742628
2-amino-N-[(4-methyloxan-4-yl)methyl]butanediamide
CID 103827766
1-benzyl-3-[(4-methyloxan-4-yl)methyl]urea
CID 103742697

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide?
The IUPAC name of (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide (CID 103742481) is (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide.
What is the SMILES notation for (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide?
The canonical SMILES for (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide is C/C=C/C(=O)NCC1(C)CCOCC1.
What is the InChIKey of (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide?
The InChIKey is CCIUDJLHCQBNNT-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H19NO2/c1-3-4-10(13)12-9-11(2)5-7-14-8-6-11/h3-4H,5-9H2,1-2H3,(H,12,13)/b4-3+.
What are the key properties of (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide?
(E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methyloxan-4-yl)methyl]but-2-enamide is sourced from PubChem (CID 103742481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).