N-cyclooctyl-2-(prop-2-enylamino)acetamide

C13H24N2O — CID 78908315

IUPACN-cyclooctyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCCCCC1
InChIInChI=1S/C13H24N2O/c1-2-10-14-11-13(16)15-12-8-6-4-3-5-7-9-12/h2,12,14H,1,3-11H2,(H,15,16)
InChIKeyBLOBGWABZCBROA-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.99
Rot. Bonds5

About N-cyclooctyl-2-(prop-2-enylamino)acetamide

N-cyclooctyl-2-(prop-2-enylamino)acetamide (PubChem CID 78908315) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-cyclooctyl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-cyclooctyl-2-(prop-2-enylamino)acetamide
PubChem CID78908315
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-cyclooctyl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC1CCCCCCC1
InChIInChI=1S/C13H24N2O/c1-2-10-14-11-13(16)15-12-8-6-4-3-5-7-9-12/h2,12,14H,1,3-11H2,(H,15,16)
InChIKeyBLOBGWABZCBROA-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(prop-2-enylamino)acetamide
CID 28563506
N-[(1R)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388659
N-[(1S)-1-cyclopentylethyl]-2-(prop-2-enylamino)acetamide
CID 81388626
N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
CID 78908843
N-cycloheptyl-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119674667
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
N-(6-oxopiperidin-3-yl)-2-(prop-2-enylamino)acetamide
CID 79280048
N-cycloheptyl-N'-cyclopentylpropanediamide
CID 108942189
methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
CID 60687528
N-cyclohexyl-2-(hexadecylamino)acetamide
CID 54808904
N-(2,3-dimethylcyclohexyl)-2-(prop-2-enylamino)acetamide
CID 78908844
N-(2,2-diethyloxan-4-yl)-2-(prop-2-enylamino)acetamide
CID 83028302

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-cyclooctyl-2-(prop-2-enylamino)acetamide (CID 78908315) is N-cyclooctyl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-cyclooctyl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-cyclooctyl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC1CCCCCCC1.
What is the InChIKey of N-cyclooctyl-2-(prop-2-enylamino)acetamide?
The InChIKey is BLOBGWABZCBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-10-14-11-13(16)15-12-8-6-4-3-5-7-9-12/h2,12,14H,1,3-11H2,(H,15,16).
What are the key properties of N-cyclooctyl-2-(prop-2-enylamino)acetamide?
N-cyclooctyl-2-(prop-2-enylamino)acetamide has a molecular weight of 224.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78908315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).