2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide

C10H18N2O2 — CID 113158100

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

About 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide

2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide (PubChem CID 113158100) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
PubChem CID113158100
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN(C(C)=O)C(C)C
InChIInChI=1S/C10H18N2O2/c1-5-6-11-10(14)7-12(8(2)3)9(4)13/h5,8H,1,6-7H2,2-4H3,(H,11,14)
InChIKeyITCNSHUVZVUIHL-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

N~1~,N~2~-diallylethanediamide
CID 241033
N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 3156727
2-(piperazin-1-yl)-N-(prop-2-en-1-yl)acetamide
CID 8893273
N-allyl-4-methyl-piperazine-1-carboxyamide
CID 3229441
3-Methyl-1-(prop-2-en-1-yl)piperazin-2-one
CID 20099299
2-(4-methylpiperazin-1-yl)-N-prop-2-enylpropanamide
CID 3229462
2-Dimethylaminopropyl acrylamide
CID 21707846
Allyloxamid
CID 22736542
N-methyl-2-[(prop-2-en-1-yl)amino]acetamide
CID 28563374
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
N,N-dimethylprop-2-enamide;N-propan-2-ylprop-2-enamide
CID 88641782
2-[cyclohexyl(methyl)amino]-N-prop-2-enylacetamide
CID 51072753

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide?
The IUPAC name of 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide (CID 113158100) is 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide is C=CCNC(=O)CN(C(C)=O)C(C)C.
What is the InChIKey of 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide?
The InChIKey is ITCNSHUVZVUIHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-5-6-11-10(14)7-12(8(2)3)9(4)13/h5,8H,1,6-7H2,2-4H3,(H,11,14).
What are the key properties of 2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide?
2-[acetyl(propan-2-yl)amino]-N-prop-2-enylacetamide 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(propan-2-yl)amino]-N-prop-2-enylacetamide is sourced from PubChem (CID 113158100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).