2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide

C10H18N2O2 — CID 113158494

IUPAC2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
SMILESC=CCN(CC(=O)NC(C)C)C(C)=O
InChIInChI=1S/C10H18N2O2/c1-5-6-12(9(4)13)7-10(14)11-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,11,14)
InChIKeyIJDPPVLTARDZOJ-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.55
Rot. Bonds5

About 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide

2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide (PubChem CID 113158494) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
PubChem CID113158494
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
SMILESC=CCN(CC(=O)NC(C)C)C(C)=O
InChIInChI=1S/C10H18N2O2/c1-5-6-12(9(4)13)7-10(14)11-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,11,14)
InChIKeyIJDPPVLTARDZOJ-UHFFFAOYSA-N
XLogP0.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
CID 84571207
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide
CID 113052311
2-[acetyl(prop-2-enyl)amino]-N-cyclohexylacetamide
CID 84572779
2-[acetyl(prop-2-enyl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 84563712
2-[acetyl(2-methoxyethyl)amino]-N-propan-2-ylacetamide
CID 113159791
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
N-(4-acetamidophenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 84570055
2-[acetyl(prop-2-enyl)amino]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113158570
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
N-(4-acetylphenyl)-2-[acetyl(prop-2-enyl)amino]acetamide
CID 113158573
2-[[3-oxo-3-(propan-2-ylamino)propyl]-prop-2-enylamino]acetic acid
CID 79277550
N-(2-oxoethyl)-N-prop-2-enylacetamide
CID 19738524

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide (CID 113158494) is 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide is C=CCN(CC(=O)NC(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
The InChIKey is IJDPPVLTARDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-6-12(9(4)13)7-10(14)11-8(2)3/h5,8H,1,6-7H2,2-4H3,(H,11,14).
What are the key properties of 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide?
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide has a molecular weight of 198.27 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 113158494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).