3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide

C17H19NO2 — CID 144913489

IUPAC3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide
SMILESCONC(=O)CCc1ccc(C2=CC=CC=CC2)cc1
InChIInChI=1S/C17H19NO2/c1-20-18-17(19)13-10-14-8-11-16(12-9-14)15-6-4-2-3-5-7-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,18,19)
InChIKeyMMJWENICWGNJKO-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.20
Rot. Bonds5

About 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide

3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide (PubChem CID 144913489) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide.

Molecular Properties

Compound Name3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide
PubChem CID144913489
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide
SMILESCONC(=O)CCc1ccc(C2=CC=CC=CC2)cc1
InChIInChI=1S/C17H19NO2/c1-20-18-17(19)13-10-14-8-11-16(12-9-14)15-6-4-2-3-5-7-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,18,19)
InChIKeyMMJWENICWGNJKO-UHFFFAOYSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-3-(4-phenylphenyl)propanamide
CID 144913609
3-(3-bromo-4-methoxyphenyl)-N-methoxypropanamide
CID 38013362
N-methoxy-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 47091604
2-(4-butylphenyl)-N-methoxyacetamide
CID 60701248
N-(2-amino-2-oxoethoxy)-3-(4-methylphenyl)propanamide
CID 112551081
N-methoxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 11470409
3-(4-fluorophenyl)-N-(2-methoxyethoxy)propanamide
CID 79676858
N-(2-amino-2-oxoethoxy)-3-(4-methoxyphenyl)propanamide
CID 112550483
N-(2-methoxyethoxy)-3-phenylpropanamide
CID 79676400
4-(2-aminoethyl)-N-methoxybenzamide
CID 64974995
methyl 3-[4-(4-phenylphenyl)phenyl]propanoate
CID 69206363
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide?
The IUPAC name of 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide (CID 144913489) is 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide.
What is the SMILES notation for 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide?
The canonical SMILES for 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide is CONC(=O)CCc1ccc(C2=CC=CC=CC2)cc1.
What is the InChIKey of 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide?
The InChIKey is MMJWENICWGNJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-20-18-17(19)13-10-14-8-11-16(12-9-14)15-6-4-2-3-5-7-15/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,18,19).
What are the key properties of 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide?
3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide has a molecular weight of 269.34 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclohepta-1,3,5-trien-1-ylphenyl)-N-methoxypropanamide is sourced from PubChem (CID 144913489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).