N-(3-ethylhexan-3-yloxy)prop-2-enamide

C11H21NO2 — CID 174586112

IUPACN-(3-ethylhexan-3-yloxy)prop-2-enamide
SMILESC=CC(=O)NOC(CC)(CC)CCC
InChIInChI=1S/C11H21NO2/c1-5-9-11(7-3,8-4)14-12-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13)
InChIKeyKCUVYDJXIRGSHB-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.58
Rot. Bonds7

About N-(3-ethylhexan-3-yloxy)prop-2-enamide

N-(3-ethylhexan-3-yloxy)prop-2-enamide (PubChem CID 174586112) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3-ethylhexan-3-yloxy)prop-2-enamide.

Molecular Properties

Compound NameN-(3-ethylhexan-3-yloxy)prop-2-enamide
PubChem CID174586112
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3-ethylhexan-3-yloxy)prop-2-enamide
SMILESC=CC(=O)NOC(CC)(CC)CCC
InChIInChI=1S/C11H21NO2/c1-5-9-11(7-3,8-4)14-12-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13)
InChIKeyKCUVYDJXIRGSHB-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-ethyloctan-4-yl prop-2-enoate
CID 164546411
N-pentoxyprop-2-enamide
CID 174822996
N-[4-ethyl-7-(prop-2-enoylamino)-4-[(prop-2-enoylamino)methoxy]heptyl]prop-2-enamide
CID 170841416
N-(2-methylpentan-2-yloxysilyl)prop-2-enamide
CID 173106708
N-[3-(aminomethyl)pentan-3-yl]prop-2-enamide
CID 63887567
ethenyl(3-ethylhexan-3-yloxy)silane
CID 173126534
N-[(E)-2-ethenyl-3,3-dimethylhex-1-enyl]prop-2-enamide
CID 166767016
3-methylhexan-3-yl prop-2-enoate
CID 87498844
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
2-(prop-2-enoylamino)hexane-2-sulfonic acid
CID 88727238
ethyl-methyl-(prop-2-enoylamino)-(4-propylheptan-4-yl)azanium chloride
CID 155677015
propyl 2-(prop-2-enoylamino)pentane-2-sulfonate
CID 175545774

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylhexan-3-yloxy)prop-2-enamide?
The IUPAC name of N-(3-ethylhexan-3-yloxy)prop-2-enamide (CID 174586112) is N-(3-ethylhexan-3-yloxy)prop-2-enamide.
What is the SMILES notation for N-(3-ethylhexan-3-yloxy)prop-2-enamide?
The canonical SMILES for N-(3-ethylhexan-3-yloxy)prop-2-enamide is C=CC(=O)NOC(CC)(CC)CCC.
What is the InChIKey of N-(3-ethylhexan-3-yloxy)prop-2-enamide?
The InChIKey is KCUVYDJXIRGSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-9-11(7-3,8-4)14-12-10(13)6-2/h6H,2,5,7-9H2,1,3-4H3,(H,12,13).
What are the key properties of N-(3-ethylhexan-3-yloxy)prop-2-enamide?
N-(3-ethylhexan-3-yloxy)prop-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylhexan-3-yloxy)prop-2-enamide is sourced from PubChem (CID 174586112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).