N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide

C9H14N2O3 — CID 146681464

IUPACN-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(C)=C/N(C(C)=O)C(C)=O
InChIInChI=1S/C9H14N2O3/c1-6(10-7(2)12)5-11(8(3)13)9(4)14/h5H,1-4H3,(H,10,12)/b6-5+
InChIKeyOYVJWKSJMICYBX-AATRIKPKSA-N
MW198.22 g/mol
LogP0.38
Rot. Bonds2

About N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide

N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide (PubChem CID 146681464) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide
PubChem CID146681464
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC NameN-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide
SMILESCC(=O)N/C(C)=C/N(C(C)=O)C(C)=O
InChIInChI=1S/C9H14N2O3/c1-6(10-7(2)12)5-11(8(3)13)9(4)14/h5H,1-4H3,(H,10,12)/b6-5+
InChIKeyOYVJWKSJMICYBX-AATRIKPKSA-N
XLogP0.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N'-diacetylpropylene-1,2-diamine
CID 146681442
1-(2,6-dimethyl-1H-pyrazin-4-yl)ethanone
CID 73556760
4,6-dimethyl-1H-pyrazine-2,3-dione
CID 20646804
N-[3-[methyl-[3-(prop-1-en-2-ylamino)propyl]amino]propyl]acetamide
CID 89105810
N-[(E)-1-(methylamino)prop-1-en-2-yl]acetamide
CID 155137850
N-ethylacetamide;propan-2-one;N-prop-1-en-2-ylacetamide
CID 160284139
N-propan-2-ylacetamide;N-prop-1-en-2-ylacetamide
CID 160572130
N-[(E)-1-(propan-2-ylamino)prop-1-en-2-yl]acetamide
CID 169861115
1-(4-Acetyl-2,5-dimethylpyrazin-1-yl)ethanone
CID 101009035
N-[(1E)-1-(dimethylamino)buta-1,3-dien-2-yl]acetamide
CID 143564797

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide (CID 146681464) is N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide is CC(=O)N/C(C)=C/N(C(C)=O)C(C)=O.
What is the InChIKey of N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide?
The InChIKey is OYVJWKSJMICYBX-AATRIKPKSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(10-7(2)12)5-11(8(3)13)9(4)14/h5H,1-4H3,(H,10,12)/b6-5+.
What are the key properties of N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide?
N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide has a molecular weight of 198.22 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(diacetylamino)prop-1-en-2-yl]acetamide is sourced from PubChem (CID 146681464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).