N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide

C10H18N2O2 — CID 125476538

IUPACN-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C/[C@@H](C)N(C)C(C)=O
InChIInChI=1S/C10H18N2O2/c1-8(12(5)10(3)14)6-7-11(4)9(2)13/h6-8H,1-5H3/b7-6+/t8-/m1/s1
InChIKeyBBJNLKLDUJSDAA-HYDMIIDASA-N
MW198.27 g/mol
LogP0.85
Rot. Bonds3

About N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide

N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide (PubChem CID 125476538) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide
PubChem CID125476538
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC NameN-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide
SMILESCC(=O)N(C)/C=C/[C@@H](C)N(C)C(C)=O
InChIInChI=1S/C10H18N2O2/c1-8(12(5)10(3)14)6-7-11(4)9(2)13/h6-8H,1-5H3/b7-6+/t8-/m1/s1
InChIKeyBBJNLKLDUJSDAA-HYDMIIDASA-N
XLogP0.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide?
The IUPAC name of N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide (CID 125476538) is N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide.
What is the SMILES notation for N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide?
The canonical SMILES for N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide is CC(=O)N(C)/C=C/[C@@H](C)N(C)C(C)=O.
What is the InChIKey of N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide?
The InChIKey is BBJNLKLDUJSDAA-HYDMIIDASA-N. The full InChI is InChI=1S/C10H18N2O2/c1-8(12(5)10(3)14)6-7-11(4)9(2)13/h6-8H,1-5H3/b7-6+/t8-/m1/s1.
What are the key properties of N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide?
N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E,3R)-3-[acetyl(methyl)amino]but-1-enyl]-N-methylacetamide is sourced from PubChem (CID 125476538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).