N-ethoxy-4-prop-2-enoxybenzamide

C12H15NO3 — CID 60735511

IUPACN-ethoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NOCC)cc1
InChIInChI=1S/C12H15NO3/c1-3-9-15-11-7-5-10(6-8-11)12(14)13-16-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14)
InChIKeyRENPEDVMIURNQB-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.93
Rot. Bonds6

About N-ethoxy-4-prop-2-enoxybenzamide

N-ethoxy-4-prop-2-enoxybenzamide (PubChem CID 60735511) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-ethoxy-4-prop-2-enoxybenzamide.

Molecular Properties

Compound NameN-ethoxy-4-prop-2-enoxybenzamide
PubChem CID60735511
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-ethoxy-4-prop-2-enoxybenzamide
SMILESC=CCOc1ccc(C(=O)NOCC)cc1
InChIInChI=1S/C12H15NO3/c1-3-9-15-11-7-5-10(6-8-11)12(14)13-16-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14)
InChIKeyRENPEDVMIURNQB-UHFFFAOYSA-N
XLogP1.93
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
N-cyclopentyloxy-4-prop-2-enoxybenzamide
CID 83202037
4-(cyclopropylmethoxy)-N-ethoxybenzamide
CID 60572474
4-amino-N-ethoxybenzamide
CID 62058413
N'-(4-bromobenzoyl)-4-prop-2-enoxybenzohydrazide
CID 54790852
4-methyl-N-(4-prop-2-enoxyphenyl)benzamide
CID 4952484
(2R)-2-[(4-prop-2-enoxybenzoyl)amino]propanoic acid
CID 54990441
N'-(4-propan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 4952150
N-[(2S)-2-hydroxypropyl]-4-prop-2-enoxybenzamide
CID 83030992
N'-(4-butan-2-yloxybenzoyl)-4-prop-2-enoxybenzohydrazide
CID 17141451
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
1-(4-prop-2-enoxyphenyl)butane-1,3-dione
CID 54091970

Frequently Asked Questions

What is the IUPAC name of N-ethoxy-4-prop-2-enoxybenzamide?
The IUPAC name of N-ethoxy-4-prop-2-enoxybenzamide (CID 60735511) is N-ethoxy-4-prop-2-enoxybenzamide.
What is the SMILES notation for N-ethoxy-4-prop-2-enoxybenzamide?
The canonical SMILES for N-ethoxy-4-prop-2-enoxybenzamide is C=CCOc1ccc(C(=O)NOCC)cc1.
What is the InChIKey of N-ethoxy-4-prop-2-enoxybenzamide?
The InChIKey is RENPEDVMIURNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-9-15-11-7-5-10(6-8-11)12(14)13-16-4-2/h3,5-8H,1,4,9H2,2H3,(H,13,14).
What are the key properties of N-ethoxy-4-prop-2-enoxybenzamide?
N-ethoxy-4-prop-2-enoxybenzamide has a molecular weight of 221.26 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-4-prop-2-enoxybenzamide is sourced from PubChem (CID 60735511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).