(E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide

C10H19NO3 — CID 19376143

IUPAC(E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide
SMILESC/C=C/C(=O)NC(CC)C(OC)OC
InChIInChI=1S/C10H19NO3/c1-5-7-9(12)11-8(6-2)10(13-3)14-4/h5,7-8,10H,6H2,1-4H3,(H,11,12)/b7-5+
InChIKeyCOPJHKLIXUSSGN-FNORWQNLSA-N
MW201.27 g/mol
LogP1.08
Rot. Bonds6

About (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide

(E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide (PubChem CID 19376143) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide
PubChem CID19376143
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide
SMILESC/C=C/C(=O)NC(CC)C(OC)OC
InChIInChI=1S/C10H19NO3/c1-5-7-9(12)11-8(6-2)10(13-3)14-4/h5,7-8,10H,6H2,1-4H3,(H,11,12)/b7-5+
InChIKeyCOPJHKLIXUSSGN-FNORWQNLSA-N
XLogP1.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-(1,1-dimethoxybutan-2-yl)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

N-(2,2-Dimethoxyethyl)-2-propenamide
CID 9898899
N-(1-methoxybutan-2-yl)prop-2-enamide
CID 14419449
Acrylamidobutyraldehyde Dimethyl Acetal
CID 18520795
N-[1,1-bis(ethylperoxy)butan-2-yl]prop-2-enamide
CID 19354110
(E)-N-(1,1-diethoxybutan-2-yl)but-2-enamide
CID 19376121
Acrylamidopentanal Diethyl Acetal
CID 19376127
N-[1,1-di(propan-2-yloxy)butan-2-yl]prop-2-enamide
CID 19376129
[1-Acetyloxy-2-(prop-2-enoylamino)butyl] acetate
CID 19376135
N-(1,1-dimethoxyhexan-2-yl)prop-2-enamide
CID 19376139
(E)-N-[1,1-di(propan-2-yloxy)butan-2-yl]but-2-enamide
CID 19376147
N-(1,1-dimethoxypentan-2-yl)prop-2-enamide
CID 19376148
N-(1,1-dipropoxybutan-2-yl)prop-2-enamide
CID 19376153

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
The IUPAC name of (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide (CID 19376143) is (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide.
What is the SMILES notation for (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
The canonical SMILES for (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide is C/C=C/C(=O)NC(CC)C(OC)OC.
What is the InChIKey of (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
The InChIKey is COPJHKLIXUSSGN-FNORWQNLSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-7-9(12)11-8(6-2)10(13-3)14-4/h5,7-8,10H,6H2,1-4H3,(H,11,12)/b7-5+.
What are the key properties of (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide?
(E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide has a molecular weight of 201.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1,1-dimethoxybutan-2-yl)but-2-enamide is sourced from PubChem (CID 19376143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).