N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide

C16H21NO3 — CID 115700247

IUPACN-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCCOCC(=C)C
InChIInChI=1S/C16H21NO3/c1-4-10-20-15-8-6-5-7-14(15)16(18)17-9-11-19-12-13(2)3/h4-8H,1-2,9-12H2,3H3,(H,17,18)
InChIKeyJSHVETLOECVDAK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.57
Rot. Bonds9

About N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide

N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide (PubChem CID 115700247) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
PubChem CID115700247
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC NameN-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide
SMILESC=CCOc1ccccc1C(=O)NCCOCC(=C)C
InChIInChI=1S/C16H21NO3/c1-4-10-20-15-8-6-5-7-14(15)16(18)17-9-11-19-12-13(2)3/h4-8H,1-2,9-12H2,3H3,(H,17,18)
InChIKeyJSHVETLOECVDAK-UHFFFAOYSA-N
XLogP2.57
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-ethylbutyl)-2-prop-2-enoxybenzamide
CID 115612991
2-fluoro-N-[2-[2-(2-methylprop-2-enoxy)ethylamino]-2-oxoethyl]benzamide
CID 115699827
2-iodo-3-methyl-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 103769451
1-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]isoquinoline-4-carboxamide
CID 106766441
2,5-difluoro-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699987
N-[(2R)-2-(ethylamino)propyl]-2-prop-2-enoxybenzamide
CID 120651699
2-prop-2-enoxy-N-[(4-propoxyphenyl)methyl]benzamide
CID 112836023
bis(2-prop-2-enoxyphenyl)methanone
CID 54013636
N-[2-(2-methylprop-2-enoxy)ethyl]-1H-indole-7-carboxamide
CID 71917211
2-(2-prop-2-enoxyethoxy)benzohydrazide
CID 63576125
2-butoxy-N-prop-2-enylbenzamide
CID 4941031
N'-(2-propan-2-yloxybenzoyl)-2-prop-2-enoxybenzohydrazide
CID 17045713

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide?
The IUPAC name of N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide (CID 115700247) is N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide.
What is the SMILES notation for N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide?
The canonical SMILES for N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide is C=CCOc1ccccc1C(=O)NCCOCC(=C)C.
What is the InChIKey of N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide?
The InChIKey is JSHVETLOECVDAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-4-10-20-15-8-6-5-7-14(15)16(18)17-9-11-19-12-13(2)3/h4-8H,1-2,9-12H2,3H3,(H,17,18).
What are the key properties of N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide?
N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide has a molecular weight of 275.35 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylprop-2-enoxy)ethyl]-2-prop-2-enoxybenzamide is sourced from PubChem (CID 115700247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).