N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide

C11H21N3O2 — CID 113052311

IUPACN-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNC(=O)NC(C)C)C(C)=O
InChIInChI=1S/C11H21N3O2/c1-5-7-14(10(4)15)8-6-12-11(16)13-9(2)3/h5,9H,1,6-8H2,2-4H3,(H2,12,13,16)
InChIKeyZKCDZZWDGHVBMY-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.73
Rot. Bonds6

About N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide

N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide (PubChem CID 113052311) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide
PubChem CID113052311
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CCNC(=O)NC(C)C)C(C)=O
InChIInChI=1S/C11H21N3O2/c1-5-7-14(10(4)15)8-6-12-11(16)13-9(2)3/h5,9H,1,6-8H2,2-4H3,(H2,12,13,16)
InChIKeyZKCDZZWDGHVBMY-UHFFFAOYSA-N
XLogP0.73
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-methylpropanamide
CID 113052235
1-[2-[methylsulfonyl(prop-2-enyl)amino]ethyl]-3-propan-2-ylurea
CID 113065279
2-[acetyl(prop-2-enyl)amino]-N-propan-2-ylacetamide
CID 113158494
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
3-[acetyl(prop-2-enyl)amino]-N-propylpropanamide
CID 113115511
1-(2-aminoethyl)-3-propan-2-ylurea
CID 13030915
3-[acetyl(prop-2-enyl)amino]-N-butylpropanamide
CID 113115514
2-[acetyl(prop-2-enyl)amino]-N-(2-methylpropyl)acetamide
CID 84571207
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113055138
N-(3,5-dimethylphenyl)-N-[2-(propan-2-ylcarbamoylamino)ethyl]acetamide
CID 113058034
N-[2-[acetyl(prop-2-enyl)amino]ethyl]-2-(4-chlorophenoxy)acetamide
CID 113052275

Frequently Asked Questions

What is the IUPAC name of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide (CID 113052311) is N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide is C=CCN(CCNC(=O)NC(C)C)C(C)=O.
What is the InChIKey of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide?
The InChIKey is ZKCDZZWDGHVBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-7-14(10(4)15)8-6-12-11(16)13-9(2)3/h5,9H,1,6-8H2,2-4H3,(H2,12,13,16).
What are the key properties of N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide?
N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide has a molecular weight of 227.31 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(propan-2-ylcarbamoylamino)ethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 113052311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).