N-phenyl-3-prop-2-enoxypropanamide

C12H15NO2 — CID 102196182

IUPACN-phenyl-3-prop-2-enoxypropanamide
SMILESC=CCOCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-9-15-10-8-12(14)13-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,13,14)
InChIKeyOADHYKVFDAWECJ-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.22
Rot. Bonds6

About N-phenyl-3-prop-2-enoxypropanamide

N-phenyl-3-prop-2-enoxypropanamide (PubChem CID 102196182) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N-phenyl-3-prop-2-enoxypropanamide.

Molecular Properties

Compound NameN-phenyl-3-prop-2-enoxypropanamide
PubChem CID102196182
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN-phenyl-3-prop-2-enoxypropanamide
SMILESC=CCOCCC(=O)Nc1ccccc1
InChIInChI=1S/C12H15NO2/c1-2-9-15-10-8-12(14)13-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,13,14)
InChIKeyOADHYKVFDAWECJ-UHFFFAOYSA-N
XLogP2.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
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

2-amino-N-phenylacetamide;3-prop-2-enoxyprop-1-ene
CID 174655198
4-ethoxy-N-phenylbutanamide
CID 112728021
2-(3-anilino-3-oxopropoxy)benzoic acid
CID 43310235
3-fluoro-N-phenylpropanamide
CID 70366284
2-chloro-4-(4-prop-2-enoxybutanoylamino)benzoic acid
CID 119179002
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
N-(4-aminophenyl)-3-(2-phenylethoxy)propanamide
CID 28995698
(6-anilino-6-oxohexyl) acetate
CID 154158064
4-(3-anilino-3-oxopropoxy)benzoic acid
CID 43243922
N-phenylheptatetracontanamide
CID 150503307
7-bromo-N-phenylheptanamide
CID 11266084

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-prop-2-enoxypropanamide?
The IUPAC name of N-phenyl-3-prop-2-enoxypropanamide (CID 102196182) is N-phenyl-3-prop-2-enoxypropanamide.
What is the SMILES notation for N-phenyl-3-prop-2-enoxypropanamide?
The canonical SMILES for N-phenyl-3-prop-2-enoxypropanamide is C=CCOCCC(=O)Nc1ccccc1.
What is the InChIKey of N-phenyl-3-prop-2-enoxypropanamide?
The InChIKey is OADHYKVFDAWECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-9-15-10-8-12(14)13-11-6-4-3-5-7-11/h2-7H,1,8-10H2,(H,13,14).
What are the key properties of N-phenyl-3-prop-2-enoxypropanamide?
N-phenyl-3-prop-2-enoxypropanamide has a molecular weight of 205.26 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-prop-2-enoxypropanamide is sourced from PubChem (CID 102196182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).