N-octan-2-yl-2-(prop-2-enylamino)acetamide

C13H26N2O — CID 78914237

IUPACN-octan-2-yl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CCCCCC
InChIInChI=1S/C13H26N2O/c1-4-6-7-8-9-12(3)15-13(16)11-14-10-5-2/h5,12,14H,2,4,6-11H2,1,3H3,(H,15,16)
InChIKeyRIDPCHKMJAKQOH-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.24
Rot. Bonds10

About N-octan-2-yl-2-(prop-2-enylamino)acetamide

N-octan-2-yl-2-(prop-2-enylamino)acetamide (PubChem CID 78914237) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-octan-2-yl-2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound NameN-octan-2-yl-2-(prop-2-enylamino)acetamide
PubChem CID78914237
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-octan-2-yl-2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(=O)NC(C)CCCCCC
InChIInChI=1S/C13H26N2O/c1-4-6-7-8-9-12(3)15-13(16)11-14-10-5-2/h5,12,14H,2,4,6-11H2,1,3H3,(H,15,16)
InChIKeyRIDPCHKMJAKQOH-UHFFFAOYSA-N
XLogP2.24
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.24
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-heptan-2-yl-2-(prop-2-enylamino)acetamide
CID 78914226
N-(6-methylheptan-2-yl)-2-(prop-2-enylamino)acetamide
CID 78914225
N-heptan-2-ylhept-6-enamide
CID 166754138
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
N-dodecan-2-ylpropanamide
CID 174988669
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
N-butan-2-yl-2-(octylamino)acetamide
CID 78914360
N-[(2R)-4-phenylbutan-2-yl]-2-(prop-2-enylamino)acetamide
CID 97170590
sulfane;N-tetradecan-2-ylprop-2-enamide
CID 161423391
(2R)-2-[[2-(prop-2-enylamino)acetyl]amino]propanoic acid
CID 79278714
CID 172681063
CID 172681063

Frequently Asked Questions

What is the IUPAC name of N-octan-2-yl-2-(prop-2-enylamino)acetamide?
The IUPAC name of N-octan-2-yl-2-(prop-2-enylamino)acetamide (CID 78914237) is N-octan-2-yl-2-(prop-2-enylamino)acetamide.
What is the SMILES notation for N-octan-2-yl-2-(prop-2-enylamino)acetamide?
The canonical SMILES for N-octan-2-yl-2-(prop-2-enylamino)acetamide is C=CCNCC(=O)NC(C)CCCCCC.
What is the InChIKey of N-octan-2-yl-2-(prop-2-enylamino)acetamide?
The InChIKey is RIDPCHKMJAKQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-7-8-9-12(3)15-13(16)11-14-10-5-2/h5,12,14H,2,4,6-11H2,1,3H3,(H,15,16).
What are the key properties of N-octan-2-yl-2-(prop-2-enylamino)acetamide?
N-octan-2-yl-2-(prop-2-enylamino)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.24, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-yl-2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 78914237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).