N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide

C13H22N2O2 — CID 84573163

IUPACN-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N1CCCCCC1)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-3-8-15(12(2)16)11-13(17)14-9-6-4-5-7-10-14/h3H,1,4-11H2,2H3
InChIKeySOMZJOKHLAANQN-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.42
Rot. Bonds4

About N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide

N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide (PubChem CID 84573163) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide
PubChem CID84573163
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide
SMILESC=CCN(CC(=O)N1CCCCCC1)C(C)=O
InChIInChI=1S/C13H22N2O2/c1-3-8-15(12(2)16)11-13(17)14-9-6-4-5-7-10-14/h3H,1,4-11H2,2H3
InChIKeySOMZJOKHLAANQN-UHFFFAOYSA-N
XLogP1.42
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-N-isopropyl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 56751437
1-(2-Oxo-2-pyrrolidin-1-ylethyl)azepan-2-one;prop-1-ene
CID 142011147
1-[3-[Methyl(propan-2-yl)amino]azepan-1-yl]prop-2-en-1-one
CID 153449409
1-[3-(Dimethylamino)azepan-1-yl]prop-2-en-1-one
CID 154991942
1-[(3R)-3-(dimethylamino)azepan-1-yl]prop-2-en-1-one
CID 155030620
N-butyl-N,N',N'-tris(prop-2-enyl)oxamide
CID 157777811
N-[2-(azepan-1-yl)-2-oxoethyl]-2-(dimethylamino)-N-methylacetamide
CID 167227001
1-(Azepan-1-yl)-2-(prop-2-enylamino)ethanone
CID 28563510
2-(azepan-1-yl)-N-prop-2-enylacetamide
CID 52140292
N,N-dimethyl-2-(4-prop-2-enyl-1,4-diazepan-1-yl)acetamide
CID 53524964
2-(4-ethyl-1,4-diazepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 53593995
2-(azepan-1-yl)-N,N-bis(prop-2-enyl)acetamide
CID 54814733

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
The IUPAC name of N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide (CID 84573163) is N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide.
What is the SMILES notation for N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
The canonical SMILES for N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide is C=CCN(CC(=O)N1CCCCCC1)C(C)=O.
What is the InChIKey of N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
The InChIKey is SOMZJOKHLAANQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-8-15(12(2)16)11-13(17)14-9-6-4-5-7-10-14/h3H,1,4-11H2,2H3.
What are the key properties of N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide?
N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide has a molecular weight of 238.33 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)-2-oxoethyl]-N-prop-2-enylacetamide is sourced from PubChem (CID 84573163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).